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21-Deacetyl-10-acetoxy-28-hydro-Raspacionin

View entire compound with spectra: 1 MS (GC)

21-Deacetyl-10-acetoxy-28-hydro-Raspacionin
SpectraBase Compound ID 5Atm1BtDxMn
InChI InChI=1S/C34H58O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-28,37-38H,11-20H2,1-10H3/t23-,24-,25-,26-,27-,28-,31-,32-,33-,34+/m0/s1
InChIKey KFZNALOYOMLQGQ-GXWAAOHPSA-N
Mol Weight 594.8 g/mol
Molecular Formula C34H58O8
Exact Mass 594.413169 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tC4kCqmx0x
Name 21-Deacetyl-10-acetoxy-28-hydro-Raspacionin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H58O8
InChI InChI=1S/C34H58O8/c1-21(35)39-33(9)19-15-27-31(7,17-13-25(37)29(3,4)41-27)23(33)11-12-24-32(8)18-14-26(38)30(5,6)42-28(32)16-20-34(24,10)40-22(2)36/h23-28,37-38H,11-20H2,1-10H3/t23-,24-,25-,26-,27-,28-,31-,32-,33-,34+/m0/s1
InChIKey KFZNALOYOMLQGQ-GXWAAOHPSA-N
Molecular Weight 594.830 g/mol
SMILES O[C@@]1(C(O[C@]2(CC[C@@]([C@@](CC[C@]3([C@@]4(CC[C@@](C(O[C@]4(CC[C@]3(OC(=O)C)C)[H])(C)C)(O)[H])C)[H])([C@@]2(CC1)C)[H])(OC(=O)C)C)[H])(C)C)[H]
SPLASH splash10-03xr-0007900000-47ed55086bdd8e4f79e7
Source of Spectrum X2-57-789-6
Synonyms Acetic acid [(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetyloxy-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-yl] ester [(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetyloxy-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-yl] acetate [(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetoxy-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-yl] acetate [(3S,5aS,6S,7S,9aS)-6-[2-[(3S,5aS,6S,7R,9aS)-7-acetyloxy-2,2,5a,7-tetramethyl-3-oxidanyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-2,2,5a,7-tetramethyl-3-oxidanyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-yl] ethanoate
Wiley ID 1605477