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8-O-Acetoacetyl-15-hydroxy-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxypent-3-en-1-yl)decahydronaphthalene]
SpectraBase Compound ID BNSAANfgigX
InChI InChI=1S/C24H39BrO4/c1-16(11-14-26)7-8-19-23(5)12-10-20(25)22(3,4)18(23)9-13-24(19,6)29-21(28)15-17(2)27/h11,18-20,26H,7-10,12-15H2,1-6H3/b16-11+/t18-,19?,20-,23-,24+/m1/s1
InChIKey XXCJLBPVIKJPKN-CBSRYQDSSA-N
Mol Weight 471.5 g/mol
Molecular Formula C24H39BrO4
Exact Mass 470.203173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsEwCFNzOZQ
Name 8-O-Acetoacetyl-15-hydroxy-epi-aplysin-20 [8-O-Acetoacetyl-3-bromo-4,4,8,10-tetramethyl-9-(3-methyl-5-hydroxypent-3-en-1-yl)decahydronaphthalene]
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Formula C24H39BrO4
InChI InChI=1S/C24H39BrO4/c1-16(11-14-26)7-8-19-23(5)12-10-20(25)22(3,4)18(23)9-13-24(19,6)29-21(28)15-17(2)27/h11,18-20,26H,7-10,12-15H2,1-6H3/b16-11+/t18-,19?,20-,23-,24+/m1/s1
InChIKey XXCJLBPVIKJPKN-CBSRYQDSSA-N
Molecular Weight 471.476 g/mol
SMILES OC\C=C\(CCC1[C@]2([C@@](C(C)(C)[C@@](CC2)(Br)[H])(CC[C@@]1(OC(CC(=O)C)=O)C)[H])C)C
SPLASH splash10-0k96-0509000000-60f776a42699e87a3475
Source of Spectrum AJ-65-2301-5
Synonyms (1S,2S,4aS,6R,8aR)-6-bromo-1-[(3E)-5-hydroxy-3-methyl-3-pentenyl]-2,5,5,8a-tetramethyldecahydro-2-naphthalenyl 3-oxobutanoate
Wiley ID 771700