Basic information
- CAS
1217-09-0- Standard SMILES
C[C@@]12CCC[C@H]1[C@@H]1CCc3ccccc3[C@H]1CC2- InChIKey
HLCRYAZDZCJZFG-BDXSIMOUSA-N- Molecular formula
- C18H24
- Average molar mass
- 240.4 g/mol
- Monoisotopic mass
- 240.18780077
Names & identifiers
- Preferred name
- 1,3,5(10)-Estratriene
- IUPAC
- (8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
- English name
- 1,3,5(10)-estratriene
- Molecular weight
- 0
Names & synonyms
1,3,5(10)-EstratrieneEstra-1,3,5(10)-triene1217-09-0F274X7VR4MESTRIN (COMPOUND)RefChem:906811Estratriene(8S,9S,13S,14S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene1,3,5(10)-OestratrieneBIDD:ER0025LS6ZMJ3JT2UNII-F274X7VR4M
Show more names
SCHEMBL975788estra-1(10),2,4-trieneSCHEMBL2452535CHEMBL1627934SCHEMBL29446097DTXSID10923933[(3aS,3bS,9bS,11aS)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-11a-yl]methaneEstra-1,3,5(10)-triene, (+/-)-
Database identifiers
- CAS
1217-09-0、777087-72-6- PubChem CID
- 150899
- DTXSID
DTXSID10923933- ChEMBL
CHEMBL1627934- UNII
- F274X7VR4M、LS6ZMJ3JT2
- Nikkaji
- J893.831H
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- FDA UNII
- 274 X7VR4M · F274X7VR4M
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
1 records
Compound notes
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