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8-O-Acetoacetyl-15-O-acetyl-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-acetylpent-3-en-1-yl)-decahydronaphthalene]
SpectraBase Compound ID KOgCAHToSqL
InChI InChI=1S/C26H41BrO5/c1-17(12-15-31-19(3)29)8-9-21-25(6)13-11-22(27)24(4,5)20(25)10-14-26(21,7)32-23(30)16-18(2)28/h12,20-22H,8-11,13-16H2,1-7H3/b17-12+/t20-,21?,22-,25-,26+/m1/s1
InChIKey GAAXNNHMQWSFQY-NTCKYOMRSA-N
Mol Weight 513.5 g/mol
Molecular Formula C26H41BrO5
Exact Mass 512.213737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaJTtaareXx
Name 8-O-Acetoacetyl-15-O-acetyl-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-acetylpent-3-en-1-yl)-decahydronaphthalene]
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Formula C26H41BrO5
InChI InChI=1S/C26H41BrO5/c1-17(12-15-31-19(3)29)8-9-21-25(6)13-11-22(27)24(4,5)20(25)10-14-26(21,7)32-23(30)16-18(2)28/h12,20-22H,8-11,13-16H2,1-7H3/b17-12+/t20-,21?,22-,25-,26+/m1/s1
InChIKey GAAXNNHMQWSFQY-NTCKYOMRSA-N
Molecular Weight 513.513 g/mol
SMILES [C@]12([C@@](C(C)(C)[C@@](CC2)(Br)[H])(CC[C@@](C1CC\C(=C\COC(=O)C)C)(OC(CC(=O)C)=O)C)[H])C
SPLASH splash10-001i-0094000000-8779b5e76725921d40be
Source of Spectrum AJ-65-2301-4
Synonyms (1S,2S,4aS,6R,8aR)-1-[(3E)-5-(acetyloxy)-3-methyl-3-pentenyl]-6-bromo-2,5,5,8a-tetramethyldecahydro-2-naphthalenyl 3-oxobutanoate
Wiley ID 771701