CHEBI:181205 - [(1aR,2S,2aS,5R,5aS,6S,7aS)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (Z)-2-methylbut-2-enoate

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ChEBI Name [(1aR,2S,2aS,5R,5aS,6S,7aS)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (Z)-2-methylbut-2-enoate
ChEBI ID CHEBI:181205
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C22H34O6
Net Charge 0
Average Mass 394.508
Monoisotopic Mass 394.23554
InChI InChI=1S/C22H34O6/c1-8-13(4)19(24)27-15-11-21(7)18(28-21)17(26-14(5)23)20(6)9-10-22(25,12(2)3)16(15)20/h8,12,15-18,25H,9-11H2,1-7H3/b13-8-/t15-,16+,17+,18+,20-,21-,22+/m0/s1
InChIKey WVPPLOSRTXOZAP-DFXOCPFWSA-N
SMILES O1[C@]2([C@@]1(C[C@H](OC(=O)/C(/C)=C\C)[C@@]3([C@@]([C@@H]2OC(=O)C)(CC[C@@]3(O)C(C)C)C)[H])C)[H]
ChEBI Ontology
Outgoing [(1aR,2S,2aS,5R,5aS,6S,7aS)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (Z)-2-methylbut-2-enoate (CHEBI:181205) is a fatty acid ester (CHEBI:35748)
IUPAC Name
[(1aR,2S,2aS,5R,5aS,6S,7aS)-2-acetyloxy-5-hydroxy-2a,7a-dimethyl-5-propan-2-yl-2,3,4,5a,6,7-hexahydro-1aH-azuleno[6,7-b]oxiren-6-yl] (Z)-2-methylbut-2-enoate
Manual Xref Database
10050476 ChemSpider
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