CHEBI:200706 - (22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3beta,28alpha-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 (22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3beta,28alpha-diol
ChEBI ID CHEBI:200706
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H52O3
Net Charge 0
Average Mass 472.754
Monoisotopic Mass 472.39165
InChI InChI=1S/C31H52O3/c1-18(2)20-17-24(34-27(20)33)19(3)21-11-15-31(8)23-9-10-25-28(4,5)26(32)13-14-29(25,6)22(23)12-16-30(21,31)7/h18-21,24-27,32-33H,9-17H2,1-8H3/t19-,20-,21+,24-,25?,26-,27+,29+,30+,31-/m0/s1
InChIKey OFHWJPCEKLTYRB-QQONLFNLSA-N
SMILES O1[C@@H](O)[C@H](C(C)C)C[C@H]1[C@H]([C@@H]2[C@@]3([C@@](C4=C([C@@]5(C(C([C@@H](O)CC5)(C)C)CC4)C)CC3)(C)CC2)C)C
Metabolite of Species Details
Pisolithus tinctorius (NCBI:txid37468) See: PubMed
ChEBI Ontology
Outgoing (22S, 24R)-24-methyllanosta-8-en-22,28-epoxy-3beta,28alpha-diol (CHEBI:200706) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R,3S,5S)-5-[(1S)-1-[(3S,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-3-propan-2-yloxolan-2-ol
Manual Xref Database
78436653 ChemSpider
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