16-Dehydropregenolone Acetate
16-Dehydropregenolone Acetate structure
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Common Name | 16-Dehydropregenolone Acetate | ||
|---|---|---|---|---|
| CAS Number | 979-02-2 | Molecular Weight | 356.498 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 464.4±45.0 °C at 760 mmHg | |
| Molecular Formula | C23H32O3 | Melting Point | 170-178ºC | |
| MSDS | Chinese USA | Flash Point | 200.1±28.8 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 16-Dehydropregenolone Acetate |
|---|---|
| Synonym | More Synonyms |
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 | 464.4±45.0 °C at 760 mmHg |
| Melting Point | 170-178ºC |
| Molecular Formula | C23H32O3 |
| Molecular Weight | 356.498 |
| Flash Point | 200.1±28.8 °C |
| Exact Mass | 356.235138 |
| PSA | 43.37000 |
| LogP | 5.14 |
| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
| Index of Refraction | 1.547 |
| InChIKey | MZWRIOUCMXPLKV-HQCFBWTMSA-N |
| SMILES | CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)=O)=CCC32)C1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi |
| Risk Phrases | R36/37/38 |
| Safety Phrases | 26-37/39 |
| RIDADR | NONH for all modes of transport |
| RTECS | TU4156200 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 10 | |
|---|---|
| DownStream 10 | |
CAS#:108-24-7
CAS#:126-17-0
CAS#:2309-38-8
CAS#:34209-81-9
CAS#:64-19-7
CAS#:3517-38-2
CAS#:115375-60-5
CAS#:109-92-2
CAS#:23549-24-8
CAS#:50678-52-9
CAS#:1045-71-2
CAS#:387-79-1
CAS#:1434-54-4
CAS#:14413-03-7
CAS#:1778-02-5
CAS#:83509-40-4
CAS#:62014-21-5
CAS#:59042-34-1
CAS#:516-55-2This table lists relevant public references with title, journal and publication metadata for this compound.
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[Acylhydrazones of 20-keto steroids and their transformations: I. Synthesis and properties of 1'-acyl-substituted 3'-methylandrosteno[16,17-d]pyrazolines].
Bioorg. Khim. 33(3) , 337-41, (2007) Acetates of 3beta-hydroxy-3'-methyl-1'(N)-acylandrost-5-eno[16,17-d]pyrazolines bearing monothiooxamide acyl groups were synthesized during the study of approaches to the synthesis of 3'-methylandrost... |
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Pregna-D'-pentaranes - a new class of active gestagenes.
J. Steroid Biochem. 16(1) , 61-7, (1982) A new class of modified progesterones with an additional ring in the 16 alpha , 17 alpha-position (pregna-D'-pentaranes) are described. Compounds containing 4- and 6-membered D'-ring (D'4- and D'6-pen... |
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Metabolism of steroid acetates by Streptomyces albus.
J. Steroid Biochem. 20(3) , 781-4, (1984) Fermentation of 16-dehydropregnenolone acetate (1a) with Streptomyces albus yielded 16-dehydropregnenolone (1b) and 16-dehydroprogesterone (IIa). Similar incubation of pregnenolone acetate (Ic) with t... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (3β)-20-Oxopregna-5,16-dien-3-yl acetate |
| Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate |
| 3β-Acetyloxy-pregna-5,16-dien-20-one |
| MFCD00051130 |
| 3β-Acetoxypregna-5,16-dien-20-one |
| 16-Dehydropregnenolone acetate |
| Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate (8CI) |
| EINECS 213-558-7 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 16-Dehydropregenolone Acetate? |
| A: Boiling point of 16-Dehydropregenolone Acetate is 464.4±45.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 16-Dehydropregenolone Acetate? |
| A: SMILES notation of 16-Dehydropregenolone Acetate is CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)=O)=CCC32)C1. |
| Q: What is the InChIKey of 16-Dehydropregenolone Acetate? |
| A: InChIKey of 16-Dehydropregenolone Acetate is MZWRIOUCMXPLKV-HQCFBWTMSA-N. |
| Q: What is the polar surface area (PSA) of 16-Dehydropregenolone Acetate? |
| A: Polar surface area (PSA) of 16-Dehydropregenolone Acetate is 43.37000. |
| Q: What is the LogP of 16-Dehydropregenolone Acetate? |
| A: LogP of 16-Dehydropregenolone Acetate is 5.14. |
| Q: What is the CAS number of 16-Dehydropregenolone Acetate? |
| A: CAS number of 16-Dehydropregenolone Acetate is 979-02-2. |
| Q: What is the molecular weight of 16-Dehydropregenolone Acetate? |
| A: Molecular weight of 16-Dehydropregenolone Acetate is 356.498. |
| Q: What English synonyms does 16-Dehydropregenolone Acetate have? |
| A: English synonyms of 16-Dehydropregenolone Acetate: (3β)-20-Oxopregna-5,16-dien-3-yl acetate, Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate, 3β-Acetyloxy-pregna-5,16-dien-20-one, MFCD00051130, 3β-Acetoxypregna-5,16-dien-20-one, 16-Dehydropregnenolone acetate, Pregna-5,16-dien-20-one, 3β-hydroxy-, acetate (8CI), EINECS 213-558-7. |
| Q: What are the downstream products of 16-Dehydropregenolone Acetate? |
| A: Related downstream products(CAS) of 16-Dehydropregenolone Acetate: 1045-71-2;34209-81-9;387-79-1;1434-54-4;14413-03-7;1778-02-5;83509-40-4;62014-21-5;59042-34-1;516-55-2. |
| Q: What is the melting point of 16-Dehydropregenolone Acetate? |
| A: Melting point of 16-Dehydropregenolone Acetate is 170-178ºC. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |
| Henan Tianfu Chemical Co., Ltd. |