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EPIBRASILENOL_ACETATE
SpectraBase Compound ID KxLda1IYQTX
InChI InChI=1S/C17H28O2/c1-10(2)14-9-17(5,6)16(19-12(4)18)15-11(3)7-8-13(14)15/h10-11,14,16H,7-9H2,1-6H3/t11-,14-,16+/m1/s1
InChIKey FJYZZMXSPUGOKQ-XFJVYGCCSA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kadxMWCP9C
Name 1,7,7-Trimethyl-5-isopropyl-8-acetoxybicyclo[4.3.0(4,9)]non-4(9)-ene
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Formula C17H28O2
InChI InChI=1S/C17H28O2/c1-10(2)14-9-17(5,6)16(19-12(4)18)15-11(3)7-8-13(14)15/h10-11,14,16H,7-9H2,1-6H3/t11-,14-,16+/m1/s1
InChIKey FJYZZMXSPUGOKQ-XFJVYGCCSA-N
Molecular Weight 264.409 g/mol
SMILES C12=C([C@](OC(=O)C)(C(C[C@@]2(C(C)C)[H])(C)C)[H])[C@](C)(CC1)[H]
SPLASH splash10-000i-1910000000-550b396511bc06a5b08b
Source of Spectrum G4-72-1718-2
Synonyms Acetic acid (3R,4R,7R)-7-isopropyl-3,5,5-trimethyl-2,3,4,5,6,7-hexahydro-1H-inden-4-yl ester Epi-brasilenol acetate Acetic acid [(3R,4R,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-yl] ester [(3R,4R,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-yl] acetate [(3R,4R,7R)-7-isopropyl-3,5,5-trimethyl-1,2,3,4,6,7-hexahydroinden-4-yl] acetate [(3R,4R,7R)-3,5,5-trimethyl-7-propan-2-yl-1,2,3,4,6,7-hexahydroinden-4-yl] ethanoate
Wiley ID 1702202