Basic information
- CAS
100071-90-7- Standard SMILES
CC[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CCC2=O- InChIKey
USBOABRFNZHTDU-QERJWTBHSA-N- Molecular formula
- C19H24O3
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.17254462
Names & identifiers
- Preferred name
- (8S,9S,10R,13S,14S)-13-ethyl-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione
- IUPAC
- (8S,9S,10R,13S,14S)-13-ethyl-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione
- English name
- 100071-90-7
- Molecular formula
- C19H24O3
- Molecular weight
- 300.39
Names & synonyms
SCHEMBL1059880118-methy-estra-4-en-3,11,17-trione18-methyl-estra-4-en-3,11,17-trioneGon-4-ene-3,11,17-trione, 13-ethyl-
Database identifiers
- CAS
100071-90-7- PubChem CID
- 11781566
- Nikkaji
- J675.352C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 587
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海德轩医药科技有限公司[email protected] · [email protected]
长沙启晟合研医药科技有限公司18684929597 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Changsha Junyu Chemexpress.co., Ltd+86-13723890100 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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