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21-Deacetyl-10-acetoxy-4-oxo-28-hydro-raspacionin

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

21-Deacetyl-10-acetoxy-4-oxo-28-hydro-raspacionin
SpectraBase Compound ID C7hFMxIU38l
InChI InChI=1S/C34H56O8/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/h23-25,27-28,37H,11-20H2,1-10H3/t23-,24-,25-,27-,28-,31-,32-,33+,34-/m0/s1
InChIKey NISUKSVJWOFHFT-MUGLUAMSSA-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 1AXdZKiQP7d
Name 21-Deacetyl-10-acetoxy-4-oxo-28-hydro-Raspacionin
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H56O8
InChI InChI=1S/C34H56O8/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/h23-25,27-28,37H,11-20H2,1-10H3/t23-,24-,25-,27-,28-,31-,32-,33+,34-/m0/s1
InChIKey NISUKSVJWOFHFT-MUGLUAMSSA-N
Molecular Weight 592.814 g/mol
SMILES O[C@]1(CC[C@]2([C@@]([C@](OC(=O)C)(CC[C@@]2(OC1(C)C)[H])C)(CC[C@@]1([C@](OC(=O)C)(C)CC[C@@]2(OC(C)(C)C(CC[C@@]12C)=O)[H])[H])[H])C)[H]
SPLASH splash10-00di-0001900000-30d2b58b85092ed44c00
Source of Spectrum X2-57-789-7
Synonyms 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]-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-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]-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-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]-3-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-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-3-oxidanyl-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-7-yl] ethanoate
Wiley ID 1605476