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CHEBI:79677 - 3β,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5α-androstan-17-oic acid, δ-lactone

ChEBI IDCHEBI:79677
ChEBI Name3β,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5α-androstan-17-oic acid, δ-lactone
Stars
ASCII Name3beta,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone
DefinitionA naphthochromene that is hexadecahydro-2H-naphtho[2,1-f]chromen-2-one which is substituted at position 3 by a hydroxymethylene group, at position 8 by a hydroxy group, and at positions 10a and 12a by methyl groups.
Last Modified23 March 2018
DownloadsMolfile
FormulaC20H30O4
Net Charge0
Average Mass334.456
Monoisotopic Mass334.21441
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)OC(=O)/C(=C\O)C[C@@]34[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C20H30O4/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(15)9-12(11-21)18(23)24-20/h11,13-17,21-22H,3-10H2,1-2H3/b12-11-/t13-,14-,15+,16-,17-,19-,20-/m0/s1
InChIKeyLUCOQXWMBYAVDV-BADRVWPOSA-N
ChEBI Ontology
Outgoing Relation(s)
3β,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5α-androstan-17-oic acid, δ-lactone (CHEBI:79677) is a naphthochromene (CHEBI:68504)
3β,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5α-androstan-17-oic acid, δ-lactone (CHEBI:79677) is a oxo seco-steroid (CHEBI:47836)
3β,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5α-androstan-17-oic acid, δ-lactone (CHEBI:79677) is a secondary alcohol (CHEBI:35681)
3β,13-dihydroxy-16-(hydroxymethylene)-13,17-seco-5α-androstan-17-oic acid, δ-lactone (CHEBI:79677) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(3Z,4aS,4bR,6aS,8S,10aS,10bS,12aS)-8-hydroxy-3-(hydroxymethylene)-10a,12a-dimethylhexadecahydro-2H-naphtho[2,1-f]chromen-2-one
Manual XrefsDatabases
C15159KEGG COMPOUND