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CHEBI:217545 - (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(1R,2R,3R)-2-hydroxy-3-(2-methoxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one

Default Structure
ChEBI IDCHEBI:217545
ChEBI Name(3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(1R,2R,3R)-2-hydroxy-3-(2-methoxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50O4
Net Charge0
Average Mass486.737
Monoisotopic Mass486.37091
SMILESCOC(C)(C)[C@@H]1CC[C@H]([C@H]2CC[C@@]3(C)C4=C(CC[C@]23C)[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC4=O)[C@H]1O
InChIInChI=1S/C31H50O4/c1-27(2)23-17-22(32)25-20(29(23,5)14-13-24(27)33)12-15-30(6)19(11-16-31(25,30)7)18-9-10-21(26(18)34)28(3,4)35-8/h18-19,21,23-24,26,33-34H,9-17H2,1-8H3/t18-,19-,21-,23+,24+,26-,29-,30-,31+/m1/s1
InChIKeyJENQAALTLVYCED-ZYUZOZHSSA-N
Species of MetaboliteComponentSourceComments
Inonotus obliquus (ncbitaxon:167356) - PubMed (32285675)
ChEBI Ontology
Outgoing Relation(s)
(3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(1R,2R,3R)-2-hydroxy-3-(2-methoxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one (CHEBI:217545) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(1R,2R,3R)-2-hydroxy-3-(2-methoxypropan-2-yl)cyclopentyl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one