CHEBI:181623 - (1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid

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ChEBI Name (1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
ChEBI ID CHEBI:181623
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H28O3
Net Charge 0
Average Mass 280.408
Monoisotopic Mass 280.20384
InChI InChI=1S/C17H28O3/c1-4-13(18)10-15-11(2)9-12-7-5-6-8-14(12)17(15,3)16(19)20/h9,12-15,18H,4-8,10H2,1-3H3,(H,19,20)/t12-,13+,14-,15+,17+/m0/s1
InChIKey HIVVBTLNCFFLPO-LVNYTYFRSA-N
SMILES OC(=O)[C@@]1([C@@]2([C@@](CCCC2)(C=C([C@H]1C[C@H](O)CC)C)[H])[H])C
ChEBI Ontology
Outgoing (1R,2R,4As,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (CHEBI:181623) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(1R,2R,4aS,8aS)-2-[(2R)-2-hydroxybutyl]-1,3-dimethyl-4a,5,6,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Manual Xref Database
7971472 ChemSpider
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