CHEBI:204325 - 1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid
ChEBI ID CHEBI:204325
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H48O4
Net Charge 0
Average Mass 472.710
Monoisotopic Mass 472.35526
InChI InChI=1S/C30H48O4/c1-18(2)9-8-10-19(26(33)34)20-13-15-29(6)21-11-12-23-27(3,4)24(31)17-25(32)30(23,7)22(21)14-16-28(20,29)5/h9,19-20,23-25,31-32H,8,10-17H2,1-7H3,(H,33,34)/t19-,20-,23+,24+,25-,28-,29+,30-/m1/s1
InChIKey YEOMLIHWOWWLRD-WFWXTSHESA-N
SMILES O=C(O)[C@@H]([C@@H]1[C@@]2([C@@](C3=C([C@]4([C@H](O)C[C@H](O)C([C@@H]4CC3)(C)C)C)CC2)(C)CC1)C)CCC=C(C)C
Metabolite of Species Details
Irpex laceratus (NCBI:txid194684) See: DOI
ChEBI Ontology
Outgoing 1beta,3beta-dihydroxylanosta-8,24-dien-21-oic acid (CHEBI:204325) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R)-2-[(1R,3S,5S,10S,13R,14R,17R)-1,3-dihydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoic acid
Manual Xref Database
58825992 ChemSpider
View more database links