NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate

Modify Date: 2025-08-27 07:32:48

NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate structure	Common Name	NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate
	CAS Number	98604-75-2	Molecular Weight	430.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₅H₃₄O₆	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

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

Name	NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate

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

Molecular Formula	C₂₅H₃₄O₆
Molecular Weight	430.5
InChIKey	VGNXXIHXIBOUBQ-KHYNBEDJSA-N
SMILES	COc1ccc(C(=O)OC2CC(C)=CCC3(C)C(OC(C)=O)CC(O)(C(C)C)C23)cc1

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (...
Source: NCGC
External Id: IP6K1-p1

Name: Primary Screen for Target Class Profiling of Small Molecule Inhibitors of Methyltrans...
Source: NCGC
External Id: MTASE-p

Name: Primary qHTS to identify gynecologic anti-cancer compounds using libraries of approve...
Source: NCGC
Target: N/A
External Id: OBG420

Name: Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i...
Source: NCGC
External Id: NSD2-synergy-p-2C

Name: Primary qHTS for inhibitors of nuclear receptor binding SET domain protein 2 (NSD2) i...
Source: NCGC
External Id: NSD2-synergy-p-9B

Name: Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) drug resistant ...
Source: NCGC
External Id: s-sky_synergy-MV-411_DR-CTG72-MIPE_NPC_NPACT_Kinase-p1

Name: Viability qHTS for spleen associated tyrosine kinase inhibitor (SYKi) naive MV4-11 ce...
Source: NCGC
External Id: s-sky_synergy-MV-411_N-CTG72-MIPE_NPC_NPACT_Kinase-p1

Name: Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
Source: NCGC
External Id: APP-Toga-CHIKV-nsp2-p

Name: Primary qHTS for Inhibitors of N-terminal methyltransferase 1 (NTMT1): MTaseGlo Assay
Source: NCGC
External Id: NTMT1-p-MTaseGlo

Name: qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma t...
Source: NCGC
Target: N/A
External Id: MCC011

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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 NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate?

A: The English name of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate is NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate.

Q: What is the InChIKey of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate?

A: InChIKey of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate is VGNXXIHXIBOUBQ-KHYNBEDJSA-N.

Q: What is the SMILES notation of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate?

A: SMILES notation of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate is COc1ccc(C(=O)OC2CC(C)=CCC3(C)C(OC(C)=O)CC(O)(C(C)C)C23)cc1.

Q: What is the molecular weight of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate?

A: Molecular weight of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate is 430.5.

Q: What is the Chinese name of 98604-75-2?

A: Chinese name of 98604-75-2 is 98604-75-2.

Q: What is the CAS number of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate?

A: CAS number of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate is 98604-75-2.

Q: What is the molecular formula of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate?

A: Molecular formula of NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate is C25H34O6.

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NCGC00385575-01_C25H34O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-methoxybenzoate

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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.