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ISOCUPRESSIC-ACID
SpectraBase Compound ID uraKkl6RBj
InChI InChI=1S/C20H32O3/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/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1
InChIKey DOYKMKZYLAAOGH-DOEMEAPXSA-N
Mol Weight 320.5 g/mol
Molecular Formula C20H32O3
Exact Mass 320.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyP7wmpHMQB
Name (1S,4aR,5S,8aR)-1,4a-dimethyl-6-methylidene-5-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
CAS Registry Number 1909-91-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/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/h10,16-17,21H,2,5-9,11-13H2,1,3-4H3,(H,22,23)/b14-10+/t16-,17+,19+,20-/m0/s1
InChIKey DOYKMKZYLAAOGH-DOEMEAPXSA-N
Molecular Weight 320.473 g/mol
SMILES OC([C@@]1([C@]2([C@@]([C@@](CC\C(=C\CO)C)(C(CC2)=C)[H])(CCC1)C)[H])C)=O
SPLASH splash10-052r-0931000000-ae39e59930176532a75f
Source of Spectrum B-34-1077-0
Synonyms (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methyl-pent-3-enyl]-1,4a-dimethyl-6-methylene-decalin-1-carboxylic acid (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid (1S,4aR,5S,8aR)-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid 1-Naphthalenecarboxylic acid, decahydro-5-((3E)-5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, (1S,4aR,5S,8aR)- 1-Naphthalenecarboxylic acid, decahydro-5-(5-hydroxy-3-methyl-3-pentenyl)-1,4a-dimethyl-6-methylene-, (1S-(1alpha,4aalpha,5alpha(E),8abeta))- 15-Hydroxylabda-8(17),13-dien-19-oic acid Isocupressic acid
Wiley ID 1320408