13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,16,17-triol

HCID 3269

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Basic information

Standard SMILES: CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2O
InChIKey: PROQIPRRNZUXQM-UHFFFAOYSA-N
Molecular formula: C18H24O3
Average molar mass: 288.4 g/mol
Monoisotopic mass: 288.17254462

Overview

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol is a steroid. It has a role as an estrogen.

Names & identifiers

Preferred name: 13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,16,17-triol
IUPAC: 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

Names & synonyms

13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triolDTXSID1090220313-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthrene-3,16,17-triolRefChem:1057482DTXCID5020914211a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,2,7-triolAcifemine16a-HydroxyestradiolSMR0008572361,3,5(10)-Estratriene-3,16alpha,17beta-TriolEstriol-2,3,4-13C3NSC 26646-d6

Show more names

Estra-1(10),2,4-triene-3,16,17-triolNCIOpen2_004748Oprea1_027407MLS001333115MLS001333116CHEMBL283081orb1308140orb3025578

Database identifiers

PubChem CID: 3269
DTXSID: DTXSID10902203
ChEMBL: CHEMBL283081
ChEBI: CHEBI:125457

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 411

Experimental & physicochemical properties

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Related reactions

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Compound notes

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