13-Methyl-3,17-bis(phenylmethoxy)-11-prop-2-enyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene

HCID 17835014
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Basic information

Standard SMILES
C=CCC1=C2c3ccc(OCc4ccccc4)cc3CCC2C2CCC(OCc3ccccc3)C2(C)C1
InChIKey
NHTSIFBJKAAIQV-UHFFFAOYSA-N
Molecular formula
C35H38O2
Average molar mass
490.7 g/mol
Monoisotopic mass
490.28718045

Names & identifiers

Preferred name
13-Methyl-3,17-bis(phenylmethoxy)-11-prop-2-enyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene
IUPAC
13-methyl-3,17-bis(phenylmethoxy)-11-prop-2-enyl-6,7,8,12,14,15,16,17-octahydrocyclopenta[a]phenanthrene

Database identifiers

PubChem CID
17835014

Properties

Computed structural properties

XLogP
7.8
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
37

Related reactions

1 records
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Compound notes

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