12-Hydroxy-13-methylpodocarpa-8,11,13-triene-3,7-dione

HCID 189403

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Basic information

CAS: 116425-92-4
Standard SMILES: Cc1cc2c(cc1O)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC2=O
InChIKey: MMQUEGKYQBCKLZ-MAUKXSAKSA-N
Molecular formula: C18H22O3
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.15689456

Overview

12-Hydroxy-13-methylpodocarpa-8,11,13-triene-3,7-dione has been reported in Azadirachta indica with data available.

Names & identifiers

Preferred name: 12-Hydroxy-13-methylpodocarpa-8,11,13-triene-3,7-dione
IUPAC: (4aS,10aR)-6-hydroxy-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione

Names & synonyms

116425-92-4Nimbinone12-hydroxy-13-methylpodocarpa-8,11,13-triene-3,7-dioneDTXSID109220672,9(1H,3H)-Phenanthrenedione, 4,4a,10,10a-tetrahydro-6-hydroxy-1,1,4a,7-tetramethyl-, (4aS-trans)-

Database identifiers

CAS: 116425-92-4
PubChem CID: 189403
DTXSID: DTXSID10922067
Nikkaji: J495.015A

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 481

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