Basic information
- CAS
982-06-9- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)=O)=C(C)CC32)C1- InChIKey
NELMHAIFXJZDST-UHFFFAOYSA-N- Molecular formula
- C24H34O3
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.25079494
Names & identifiers
- Preferred name
- 16-Methyl-20-oxopregna-5,16-dien-3-yl acetate
- IUPAC
- (17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
- English name
- 16-methyl-20-oxopregna-5,16-dien-3-beta-yl acetate
- Molecular formula
- C24H34O3
- Molecular weight
- 370.53
Names & synonyms
16-Methyl-20-oxopregna-5,16-dien-3-yl acetateCID 70428(17-acetyl-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetateDTXSID20913385AKOS002141244AKOS021608969NELMHAIFXJZDST-HHNLCZHGSA-N3-Acetyloxy-16-methylpregna-5,16-dien-20-one16-Methylpregna-5,16-dien-3-ol-20-one-3-aceta16-methylpregna-5,16-dien-3β-ol-20-one acetate16-Methyl-20-oxopregna-5,16-diene-3β-ol acetate5, 16-PREGNADIEN-16-METHYL-3β-OL-20-ONE ACETATE
Show more names
16-methyl-20-oxopregna-5,16-dien-3-beta-yl acetate3-Hydroxy-16-methylpregna-5,16-dien-20-one 3-acetate3beta-hydroxy-16-methyl-5,16-pregnadien-20-one acetate
Database identifiers
- CAS
982-06-9- PubChem CID
- 70428
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 745
Physicochemical properties
- Melting point
- 172 · 172-174 °C
- Boiling point
- 474 · 474.0±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers3 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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