CHEBI:182060 - (3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid

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ChEBI Name (3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
ChEBI ID CHEBI:182060
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H36O3
Net Charge 0
Average Mass 324.505
Monoisotopic Mass 324.26645
InChI InChI=1S/C20H36O3/c1-14(13-17(21)22)7-8-16-19(4)11-6-10-18(2,3)15(19)9-12-20(16,5)23/h14-16,23H,6-13H2,1-5H3,(H,21,22)/t14-,15?,16+,19-,20+/m0/s1
InChIKey KHCCSRVJJDOANA-ZOSGAXDSSA-N
SMILES O[C@]1([C@@H]([C@@]2(C(C(CCC2)(C)C)CC1)C)CC[C@@H](CC(O)=O)C)C
ChEBI Ontology
Outgoing (3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid (CHEBI:182060) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3S)-5-[(1R,2R,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpentanoic acid
Manual Xref Database
21615476 ChemSpider
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