CHEBI:213721 - Subnudatone A

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ChEBI Name Subnudatone A
ChEBI ID CHEBI:213721
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C32H44O4
Net Charge 0
Average Mass 492.700
Monoisotopic Mass 492.32396
InChI InChI=1S/C32H44O4/c1-20-7-10-25-22(17-20)13-15-29(3,35)31(25,5)27(33)12-9-24-19-36-30(4)16-14-23-18-21(2)8-11-26(23)32(30,6)28(24)34/h9,12-16,19-23,25-26,35H,7-8,10-11,17-18H2,1-6H3/b12-9+/t20-,21+,22+,23-,25+,26-,29+,30+,31-,32-/m1/s1
InChIKey KFXNXODFQUQQGW-PYIUQNFNSA-N
SMILES O=C1C(=CO[C@@]2([C@@]1([C@H]3[C@@H](C[C@@H](C)CC3)C=C2)C)C)/C=C/C(=O)[C@@]4([C@@](O)(C=C[C@@H]5[C@@H]4CC[C@H](C5)C)C)C
ChEBI Ontology
Outgoing Subnudatone A (CHEBI:213721) is a organic heterotricyclic compound (CHEBI:26979)
Subnudatone A (CHEBI:213721) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(4aS,6aS,8S,10aR,10bS)-2-[(E)-3-[(1S,2S,4aR,6R,8aS)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-oxoprop-1-enyl]-4a,8,10b-trimethyl-6a,7,8,9,10,10a-hexahydrobenzo[]chromen-1-one