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15-Deacetyl-10-acetoxy-4-oxo-28-hydro-Raspacionin

View entire compound with spectra: 1 MS (GC)

15-Deacetyl-10-acetoxy-4-oxo-28-hydro-Raspacionin
SpectraBase Compound ID K6z6PC7PbVt
InChI InChI=1S/C34H56O8/c1-21(35)39-26-14-18-31(7)23(33(9,38)19-15-27(31)42-30(26,5)6)11-12-24-32(8)17-13-25(37)29(3,4)41-28(32)16-20-34(24,10)40-22(2)36/h23-24,26-28,38H,11-20H2,1-10H3/t23-,24-,26-,27-,28-,31-,32-,33+,34-/m0/s1
InChIKey BSNUNDANBIHXQT-QHXSGAKFSA-N
Mol Weight 592.8 g/mol
Molecular Formula C34H56O8
Exact Mass 592.397519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiniU9AtY9m
Name 15-Deacetyl-10-acetoxy-4-oxo-28-hydro-Raspacionin
Alternate Name(s) Acetic acid [(3S,5aS,6S,7R,9aS)-6-[2-[(5aS,6S,7S,9aS)-7-acetyloxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] ester [(3S,5aS,6S,7R,9aS)-6-[2-[(5aS,6S,7S,9aS)-7-acetyloxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate [(3S,5aS,6S,7R,9aS)-6-[2-[(5aS,6S,7S,9aS)-7-acetoxy-2,2,5a,7-tetramethyl-3-oxo-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] acetate [(3S,5aS,6S,7R,9aS)-6-[2-[(5aS,6S,7S,9aS)-7-acetyloxy-2,2,5a,7-tetramethyl-3-oxidanylidene-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-7-oxidanyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-3-yl] ethanoate
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Formula C34H56O8
InChI InChI=1S/C34H56O8/c1-21(35)39-26-14-18-31(7)23(33(9,38)19-15-27(31)42-30(26,5)6)11-12-24-32(8)17-13-25(37)29(3,4)41-28(32)16-20-34(24,10)40-22(2)36/h23-24,26-28,38H,11-20H2,1-10H3/t23-,24-,26-,27-,28-,31-,32-,33+,34-/m0/s1
InChIKey BSNUNDANBIHXQT-QHXSGAKFSA-N
Molecular Weight 592.814 g/mol
SMILES O[C@]1([C@]([C@]2([C@](OC(C)(C)[C@](CC2)(OC(=O)C)[H])([H])CC1)C)(CC[C@@]1([C@](OC(=O)C)(C)CC[C@@]2(OC(C)(C)C(CC[C@@]12C)=O)[H])[H])[H])C
SPLASH splash10-0230-0000930000-ba19ac05027a272a8786
Source of Spectrum X2-57-789-9
Wiley ID 1605474