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KIKKANOL-B-15-PIVALOYLESTER
SpectraBase Compound ID 4JJZlgbSgcv
InChI InChI=1S/C20H32O3/c1-13(2)14-9-10-20(6)16(11-14)15(7-8-17(20)21)12-23-18(22)19(3,4)5/h7,11,13-14,17,21H,8-10,12H2,1-6H3/t14-,17-,20-/m1/s1
InChIKey MCXUARXNQWKQES-WIBUTAKZSA-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 2TidyTDPjRt
Name Kikkanol B 15-pivaloyl ester [3,5(6)-Eudesmadien-1,15-diol 15-pivaloyl ester]
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O3
InChI InChI=1S/C20H32O3/c1-13(2)14-9-10-20(6)16(11-14)15(7-8-17(20)21)12-23-18(22)19(3,4)5/h7,11,13-14,17,21H,8-10,12H2,1-6H3/t14-,17-,20-/m1/s1
InChIKey MCXUARXNQWKQES-WIBUTAKZSA-N
Molecular Weight 320.473 g/mol
SMILES O[C@]1([C@]2(C(=C[C@@](CC2)(C(C)C)[H])C(=CC1)COC(C(C)(C)C)=O)C)[H]
SPLASH splash10-014i-0090000000-d4699c937c40ea5a83f1
Source of Spectrum E2-47-344-2
Synonyms 2,2-Dimethylpropanoic acid [(4R,4aR,7S)-4-hydroxy-4a-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-yl]methyl ester [(4R,4aR,7S)-4-hydroxy-4a-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-yl]methyl 2,2-dimethylpropanoate [(4R,4aR,7S)-4-hydroxy-7-isopropyl-4a-methyl-4,5,6,7-tetrahydro-3H-naphthalen-1-yl]methyl 2,2-dimethylpropanoate [(4R,4aR,7S)-4a-methyl-4-oxidanyl-7-propan-2-yl-4,5,6,7-tetrahydro-3H-naphthalen-1-yl]methyl 2,2-dimethylpropanoate
Wiley ID 1554761