CHEBI:220741 - 3beta,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-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 3beta,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid
ChEBI ID CHEBI:220741
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H44O7
Net Charge 0
Average Mass 516.675
Monoisotopic Mass 516.30870
InChI InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21-23,32,34-35H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,22+,23-,28+,29-,30+/m1/s1
InChIKey LDARGZHEYGQTJX-RYFQOAETSA-N
SMILES O=C1C2=C([C@@]3([C@H](O)C=C([C@]3(C1)C)[C@@H](CC(=O)CC(C(=O)O)C)C)C)[C@@H](O)C[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C
Metabolite of Species Details
Ganoderma tropicum (NCBI:txid36077) See: PubMed
ChEBI Ontology
Outgoing 3beta,7beta,15beta-trihydroxy-11, 23-dioxo-lanost-8,16-dien-26-oic acid (CHEBI:220741) is a triterpenoid (CHEBI:36615)
IUPAC Name
(6R)-2-methyl-4-oxo-6-[(3S,5R,7S,10S,13R,14R,15R)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15-octahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual Xref Database
78441385 ChemSpider
View more database links