15H-Cyclopenta[a]phenanthrene-15,16-diol, 16,17-dihydro-, diacetate, cis-

HCID 181718

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Basic information

CAS: 42122-92-9
Standard SMILES: CC(=O)O[C@@H]1Cc2ccc3c(ccc4ccccc43)c2[C@@H]1OC(C)=O
InChIKey: BNTZQINIIMJLJB-TZIWHRDSSA-N
Molecular formula: C21H18O4
Average molar mass: 334.4 g/mol
Monoisotopic mass: 334.12050905

Names & identifiers

Preferred name: 15H-Cyclopenta[a]phenanthrene-15,16-diol, 16,17-dihydro-, diacetate, cis-
IUPAC: [(15S,16R)-15-acetyloxy-16,17-dihydro-15H-cyclopenta[a]phenanthren-16-yl] acetate

Names & synonyms

15H-Cyclopenta(a)phenanthrene-15,16-diol, 16,17-dihydro-, diacetate, cis-42122-92-9DTXSID3019496115H-Cyclopenta[a]phenanthrene-15,16-diol, 16,17-dihydro-, diacetate, cis-RefChem:78911DTXCID7011745215beta,16beta-Gona-1(10),2,4,6,8,11,13-heptaene-15,16-diyl diacetate

Database identifiers

CAS: 42122-92-9
PubChem CID: 181718
DTXSID: DTXSID30194961

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 530

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