1α-Hydroxytorilin

Modify Date: 2026-07-17 20:23:27

1α-Hydroxytorilin structure	Common Name	1α-Hydroxytorilin
	CAS Number	887147-75-3	Molecular Weight	392.486
	Density	1.1±0.1 g/cm3	Boiling Point	502.5±50.0 °C at 760 mmHg
	Molecular Formula	C₂₂H₃₂O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	165.3±23.6 °C

Use of 1α-Hydroxytorilin

1 α-hydroxytorilin (compound 3) is a sesquiterpenoid. 1 α-hydroxytorilin can be isolated from Torilis japonica. 1α-hydroxytorilin has cytotoxicity against human A549, SK-OV-3, SK-MEL-2, and HCT15 tumor cells with ED50 values of 20.52, 18.24, 17.48, 42.54 μg/mL, respectively[1].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	(5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

Description	1 α-hydroxytorilin (compound 3) is a sesquiterpenoid. 1 α-hydroxytorilin can be isolated from Torilis japonica. 1α-hydroxytorilin has cytotoxicity against human A549, SK-OV-3, SK-MEL-2, and HCT15 tumor cells with ED50 values of 20.52, 18.24, 17.48, 42.54 μg/mL, respectively[1].
Related Catalog	Research Areas >> Others Signaling Pathways >> Others >> Others
References	[1]. Hye Won Park, et al. Guaiane sesquiterpenoids from Torilis japonica and their cytotoxic effects on human cancer cell lines. Arch Pharm Res. 2006, 29,2.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density	1.1±0.1 g/cm3
Boiling Point	502.5±50.0 °C at 760 mmHg
Molecular Formula	C₂₂H₃₂O₆
Molecular Weight	392.486
Flash Point	165.3±23.6 °C
Exact Mass	392.219879
PSA	89.90000
LogP	2.95
Vapour Pressure	0.0±2.9 mmHg at 25°C
Index of Refraction	1.523
InChIKey	YSHITMOTGBUVPS-MURIGLHXSA-N
SMILES	CC=C(C)C(=O)OC1CC(C)C2(O)CC(=O)C(C)=C2CC1C(C)(C)OC(C)=O

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Hazard Codes	Xi

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

(5S,6R,8S,8aR)-5-(2-Acetoxy-2-propanyl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulenyl (2Z)-2-methyl-2-butenoate

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the English name of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: The English name of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate.

Q: What is the SMILES notation of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: SMILES notation of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is CC=C(C)C(=O)OC1CC(C)C2(O)CC(=O)C(C)=C2CC1C(C)(C)OC(C)=O.

Q: What is the polar surface area (PSA) of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: Polar surface area (PSA) of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is 89.90000.

Q: What English synonyms does (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate have?

A: English synonyms of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate: (5S,6R,8S,8aR)-5-(2-Acetoxy-2-propanyl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-6-azulenyl (2Z)-2-methyl-2-butenoate.

Q: What are the uses of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: Main uses of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate: 1 α-hydroxytorilin (compound 3) is a sesquiterpenoid. 1 α-hydroxytorilin can be isolated from Torilis japonica. 1α-hydroxytorilin has cytotoxicity against human A549, SK-OV-3, SK-MEL-2, and HCT15 tumor cells with ED50 values of 20.52, 18.24, 17.48, 42.54 μg/mL, respectively[1].

Q: What is the molecular weight of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: Molecular weight of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is 392.486.

Q: What is the InChIKey of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: InChIKey of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is YSHITMOTGBUVPS-MURIGLHXSA-N.

Q: What is the boiling point of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: Boiling point of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is 502.5±50.0 °C at 760 mmHg.

Q: What is the LogP of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: LogP of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is 2.95.

Q: What is the molecular formula of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate?

A: Molecular formula of (5S,6R,8S,8aR)-5-(2-acetoxypropan-2-yl)-8a-hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydroazulen-6-yl (Z)-2-methylbut-2-enoate is C22H32O6.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

BioBioPha

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1α-Hydroxytorilin
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

BioBioPha
China
Product Name: 1α-Hydroxytorilin
Price: ￥3750.0/5mg
Purity: 98.0%
Delivery: 10 Day
Contact: Xueping-Zheng
Email: 1477035482@qq.com

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.