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Cardivin B

View entire compound with spectra: 1 MS (GC)

Cardivin B
SpectraBase Compound ID HzXJ92r3QPa
InChI InChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24-/m0/s1
InChIKey PQWUSRCSCCYNSK-FBXXSWLTSA-N
Mol Weight 468.5 g/mol
Molecular Formula C24H36O9
Exact Mass 468.235933 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zj66Vh3ljc
Name Cardivin B
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O9
InChI InChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24-/m0/s1
InChIKey PQWUSRCSCCYNSK-FBXXSWLTSA-N
Molecular Weight 468.543 g/mol
SMILES O[C@]1(C[C@@](C([C@]([C@]2([C@]([C@@]([C@](C1)(O)C)(OC(=O)C(C)C)[H])(OC(C2=C)=O)[H])[H])(OC(=O)C(CC)C)[H])=O)(C)[H])[H]
SPLASH splash10-053r-9100000000-8f576738000b4b7d9e36
Source of Spectrum G4-60-1201-2
Synonyms 2-Methylbutanoic acid [(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylene-11-(2-methyl-1-oxopropoxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] ester [(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate [(3aR,4S,6S,8S,10S,11S,11aR)-8,10-dihydroxy-6,10-dimethyl-3-methylene-11-(2-methylpropanoyloxy)-2,5-dioxo-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate [(3aR,4S,6S,8S,10S,11S,11aR)-6,10-dimethyl-3-methylidene-11-(2-methylpropanoyloxy)-8,10-bis(oxidanyl)-2,5-bis(oxidanylidene)-3a,4,6,7,8,9,11,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylbutanoate
Wiley ID 1606944