CHEBI:198438 - 21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol

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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 21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol
ChEBI ID CHEBI:198438
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O4
Net Charge 0
Average Mass 470.694
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-19(17-31)8-7-9-20(18-32)21-10-15-30(6)26-22(11-14-29(21,30)5)28(4)13-12-25(34)27(2,3)24(28)16-23(26)33/h8,20-21,24,31-32H,7,9-18H2,1-6H3/b19-8+/t20-,21+,24-,28+,29+,30-/m0/s1
InChIKey UGYIDRFXVRAGAP-FBQVLDQFSA-N
SMILES O=C1C2=C([C@]3(CCC(C([C@@H]3C1)(C)C)=O)C)CC[C@]4([C@]2(CC[C@@H]4[C@H](CO)CC/C=C(/CO)\C)C)C
Metabolite of Species Details
Ganoderma (NCBI:txid5314) See: PubMed
ChEBI Ontology
Outgoing 21-hydroxy-3,7-dioxo-5alpha-lanost-8,24E-dien-26-ol (CHEBI:198438) is a triterpenoid (CHEBI:36615)
IUPAC Name
(5R,10S,13R,14R,17R)-17-[(E,2R)-1,7-dihydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,5,6,11,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-3,7-dione
Manual Xref Database
78441969 ChemSpider
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