CHEBI:182071 - (1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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ChEBI Name (1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
ChEBI ID CHEBI:182071
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O3
Net Charge 0
Average Mass 322.489
Monoisotopic Mass 322.25079
InChI InChI=1S/C20H34O3/c1-14(10-13-21)6-8-16-15(2)7-9-17-19(16,3)11-5-12-20(17,4)18(22)23/h14,16-17,21H,2,5-13H2,1,3-4H3,(H,22,23)/t14?,16-,17+,19+,20-/m1/s1
InChIKey NSRKLZRKJJQJLD-KXBJDGJWSA-N
SMILES OC(=O)[C@]1([C@@]2([C@]([C@@H](C(CC2)=C)CCC(CCO)C)(CCC1)C)[H])C
ChEBI Ontology
Outgoing (1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (CHEBI:182071) is a diterpenoid (CHEBI:23849)
IUPAC Name
(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual Xref Database
22913828 ChemSpider
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