Basic information
- Standard SMILES
C=C1CC[C@H]2[C@@H]3CCC4=C(CC=C(OC)C4)[C@H]3CC[C@]12C- InChIKey
TXDPJAZHGVTTOR-YSTOQKLRSA-N- Molecular formula
- C20H28O
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.21401551
Names & identifiers
- Preferred name
- 17-Methylenestra-2,5(10)-dien-3-yl methyl ether
- IUPAC
- (8R,9S,13S,14S)-3-methoxy-13-methyl-17-methylidene-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene
Names & synonyms
SCHEMBL2834253TXDPJAZHGVTTOR-YSTOQKLRSA-N17-Methylenestra-2,5(10)-dien-3-yl methyl ether
Database identifiers
- PubChem CID
- 54338366
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 538
Related reactions
14 records
Compound notes
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