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Salvicin

View entire compound with spectra: 1 MS (GC)

Salvicin
SpectraBase Compound ID CVKgOHKw9iP
InChI InChI=1S/C20H32O4/c1-13(9-11-21)8-10-19(3)14(2)12-17(22)20(4)15(18(23)24)6-5-7-16(19)20/h6,9,14,16-17,21-22H,5,7-8,10-12H2,1-4H3,(H,23,24)/b13-9+/t14-,16-,17+,19+,20+/m1/s1
InChIKey GTOZGWPAQKVWLE-DLOZJNQXSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbAp2PltQlY
Name Salvicin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-13(9-11-21)8-10-19(3)14(2)12-17(22)20(4)15(18(23)24)6-5-7-16(19)20/h6,9,14,16-17,21-22H,5,7-8,10-12H2,1-4H3,(H,23,24)/b13-9+/t14-,16-,17+,19+,20+/m1/s1
InChIKey GTOZGWPAQKVWLE-DLOZJNQXSA-N
Molecular Weight 336.472 g/mol
SMILES OC\C=C\(CC[C@@]1([C@@]2([C@@]([C@](C[C@]1(C)[H])(O)[H])(C(=CCC2)C(=O)O)C)[H])C)C
SPLASH splash10-014i-0069000000-a93d9802a75d372cefef
Source of Spectrum X4-22-278-0
Synonyms (4aR,5S,6R,8S,8aR)-8-hydroxy-5-[(E)-5-hydroxy-3-methylpent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid (4aR,5S,6R,8S,8aR)-5,6,8a-trimethyl-5-[(E)-3-methyl-5-oxidanyl-pent-3-enyl]-8-oxidanyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid
Wiley ID 1585991