CHEBI:181612 - (Z)-2-[2-[(1S,8aR)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol

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ChEBI Name (Z)-2-[2-[(1S,8aR)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
ChEBI ID CHEBI:181612
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-19(2)10-4-11-20(3)17(7-5-15(13-22)9-12-21)16(14-23)6-8-18(19)20/h6,9,17-18,21-23H,4-5,7-8,10-14H2,1-3H3/b15-9-/t17-,18?,20+/m1/s1
InChIKey QKFYQBBBSKOMPQ-BKOATVBFSA-N
SMILES OCC=1[C@H]([C@]2(C(C(CCC2)(C)C)CC1)C)CC/C(/CO)=C/CO
ChEBI Ontology
Outgoing (Z)-2-[2-[(1S,8aR)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol (CHEBI:181612) is a diterpenoid (CHEBI:23849)
IUPAC Name
(Z)-2-[2-[(1S,8aR)-2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]ethyl]but-2-ene-1,4-diol
Manual Xref Database
22913773 ChemSpider
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