CHEBI:215353 - 3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid

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ChEBI Name 3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid
ChEBI ID CHEBI:215353
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O5
Net Charge 0
Average Mass 350.455
Monoisotopic Mass 350.20932
InChI InChI=1S/C20H30O5/c1-5-13-12(2)6-7-14-17(3)9-8-15(21)18(4,16(22)23)20(17,25)11-10-19(13,14)24/h5,13-15,21,24-25H,1-2,6-11H2,3-4H3,(H,22,23)/t13-,14-,15-,17-,18+,19-,20+/m1/s1
InChIKey MECXSJIILFRSID-XSINAMBDSA-N
SMILES O=C(O)[C@]1([C@@]2(O)[C@@]([C@@H]3[C@](O)([C@@H](C(=C)CC3)C=C)CC2)(CC[C@H]1O)C)C
Metabolite of Species Details
Albatrellopsis confluens (NCBI:txid2925186) See: PubMed
ChEBI Ontology
Outgoing 3alpha,5alpha,8beta-trihydroxycleistanth-13(17),15-dien-18-oic acid (CHEBI:215353) is a steroid acid (CHEBI:47891)
IUPAC Name
(1R,2R,4aR,4bR,8R,8aS,10aS)-8-ethenyl-2,8a,10a-trihydroxy-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,9,10-octahydro-2H-phenanthrene-1-carboxylic acid
Manual Xref Database
28286759 ChemSpider
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