Androsta-5,16-dien-3-yl acetate
Basic information
- CAS
1236-14-2- Standard SMILES
CC(=O)OC1CCC2(C)C(=CCC3C4CC=CC4(C)CCC32)C1- InChIKey
SGEUQNHSMHUUKU-UHFFFAOYSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Names & identifiers
- Preferred name
- Androsta-5,16-dien-3-yl acetate
- IUPAC
- (10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
Names & synonyms
androsta-5,16-dien-3-yl acetate1236-14-2NSC131018DTXSID90924549AKOS024341941NSC-131018
Database identifiers
- CAS
1236-14-2- PubChem CID
- 279745
- DTXSID
DTXSID90924549- EC Number
- 148-933-3
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 574
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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