CHEBI:132341 - hypodiol

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ChEBI Name hypodiol
ChEBI ID CHEBI:132341
Definition A pentacyclic triterpenoid with formula C30H50O2, originally isolated from Tripterygium hypoglaucum.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C30H50O2
Net Charge 0
Average Mass 442.718
Monoisotopic Mass 442.38108
InChI InChI=1S/C30H50O2/c1-25(2)13-14-27(5)15-16-29(7)19(20(27)18-25)17-21(31)24-28(6)11-10-23(32)26(3,4)22(28)9-12-30(24,29)8/h21-24,31-32H,9-18H2,1-8H3/t21-,22+,23+,24-,27-,28+,29-,30-/m1/s1
InChIKey PLLRCYPRRCRXHG-KQCVGMHHSA-N
SMILES O[C@H]1[C@]2([C@]([C@]3(C(=C4[C@@](CC3)(CCC(C4)(C)C)C)C1)C)(CC[C@@]5([C@@]2(CC[C@H](O)C5(C)C)C)[H])C)[H]
Metabolite of Species Details
Tripterygium hypoglaucum (NCBI:txid205465) See: Phytochemistry, 2000, 53, 715-722.
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing hypodiol (CHEBI:132341) has parent hydride oleanane (CHEBI:36481)
hypodiol (CHEBI:132341) has role plant metabolite (CHEBI:76924)
hypodiol (CHEBI:132341) is a diol (CHEBI:23824)
hypodiol (CHEBI:132341) is a pentacyclic triterpenoid (CHEBI:25872)
hypodiol (CHEBI:132341) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3β,11α)-olean-13(18)-ene-3,11-diol
Synonyms Sources
(-)-Hypodiol KNApSAcK
3β,11α-dihydroxy-olean-13(18)-ene ChEBI
olean-13(18)-ene-3β,11α-diol ChEBI
Manual Xrefs Databases
101936045 PubChem
C00037290 KNApSAcK
View more database links
Registry Numbers Types Sources
198129-86-1 CAS Registry Number ChemIDplus
7828737 Reaxys Registry Number Reaxys
Last Modified
24 October 2016