CHEBI:180995 - (1R,3E,5S,8Z,12E,15S)-5,17-Dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one

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ChEBI Name (1R,3E,5S,8Z,12E,15S)-5,17-Dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one
ChEBI ID CHEBI:180995
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C25H38O4
Net Charge 0
Average Mass 402.575
Monoisotopic Mass 402.27701
InChI InChI=1S/C25H38O4/c1-16-7-6-8-17(2)13-14-25(5)20(11-10-18(3)21(27)12-9-16)22(19(4)15-26)23(28)24(25)29/h7,10,13,19-21,26-28H,6,8-9,11-12,14-15H2,1-5H3/b16-7-,17-13+,18-10+/t19-,20-,21+,25+/m1/s1
InChIKey UTGBBPSEQPITLF-URCDZZQSSA-N
SMILES OC1=C([C@@]2([C@](CC=C(CCC=C(CC[C@H](O)C(=CC2)C)C)C)(C1=O)C)[H])[C@@H](CO)C
ChEBI Ontology
Outgoing (1R,3E,5S,8Z,12E,15S)-5,17-Dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one (CHEBI:180995) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,3E,5S,8Z,12E,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one