(3-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

HCID 629987
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Basic information

Standard SMILES
COc1ccc2c(c1)CCC1C2CCC2(C)C(OC(C)=O)CCC12
InChIKey
FMNPCVNWRFPDCA-UHFFFAOYSA-N
Molecular formula
C21H28O3
Average molar mass
328.4 g/mol

Names & identifiers

Preferred name
(3-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate
IUPAC
(3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Names & synonyms

SCHEMBL12449418

Database identifiers

PubChem CID
629987

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
24

Related reactions

1 records
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Compound notes

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