CHEBI:217307 - 24-methylenelanost-8-ene-3beta,22-diol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 24-methylenelanost-8-ene-3beta,22-diol
ChEBI ID CHEBI:217307
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52O2
Net Charge 0
Average Mass 456.755
Monoisotopic Mass 456.39673
InChI InChI=1S/C31H52O2/c1-19(2)20(3)18-25(32)21(4)22-12-16-31(9)24-10-11-26-28(5,6)27(33)14-15-29(26,7)23(24)13-17-30(22,31)8/h19,21-22,25-27,32-33H,3,10-18H2,1-2,4-9H3/t21-,22+,25+,26-,27-,29+,30+,31-/m0/s1
InChIKey MUAAHBHDDFOPCS-RYDGGTMASA-N
SMILES O[C@@H]1C([C@H]2[C@](C3=C([C@]4([C@]([C@@H]([C@@H]([C@H](O)CC(=C)C(C)C)C)CC4)(C)CC3)C)CC2)(C)CC1)(C)C
Metabolite of Species Details
Pisolithus tinctorius (NCBI:txid37468) See: DOI
ChEBI Ontology
Outgoing 24-methylenelanost-8-ene-3beta,22-diol (CHEBI:217307) is a triterpenoid (CHEBI:36615)
IUPAC Name
(3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methyl-5-methylideneheptan-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
78438657 ChemSpider
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