| SpectraBase Compound ID | 9aqL8eCDuKo |
|---|---|
| InChI | InChI=1S/C32H54O6/c1-20-10-13-26-30(7,17-14-24(34)28(3,4)37-26)22(20)11-12-23-31(8)18-15-25(35)29(5,6)38-27(31)16-19-32(23,9)36-21(2)33/h22-27,34-35H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26+,27+,30+,31+,32-/m1/s1 |
| InChIKey | PTUPTCJCPUOIKT-QMKGPMEVSA-N |
| Mol Weight | 534.8 g/mol |
| Molecular Formula | C32H54O6 |
| Exact Mass | 534.392039 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AuUhpoPnKrI |
|---|---|
| Name | 21-Deacetyl-Raspacionin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H54O6 |
| InChI | InChI=1S/C32H54O6/c1-20-10-13-26-30(7,17-14-24(34)28(3,4)37-26)22(20)11-12-23-31(8)18-15-25(35)29(5,6)38-27(31)16-19-32(23,9)36-21(2)33/h22-27,34-35H,1,10-19H2,2-9H3/t22-,23+,24+,25+,26+,27+,30+,31+,32-/m1/s1 |
| InChIKey | PTUPTCJCPUOIKT-QMKGPMEVSA-N |
| Molecular Weight | 534.778 g/mol |
| SMILES | O[C@@]1(C(O[C@]2(CC[C@]([C@@](CC[C@]3([C@@]4(CC[C@@](C(O[C@]4(CCC3=C)[H])(C)C)(O)[H])C)[H])([C@@]2(CC1)C)[H])(OC(=O)C)C)[H])(C)C)[H] |
| SPLASH | splash10-03r0-0009300000-ace19854f2f994c09a31 |
| Source of Spectrum | X2-57-789-5 |
| Synonyms | [(3S,5aS,6S,7R,9aS)-6-[2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-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,7R,9aS)-6-[2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylene-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,7R,9aS)-6-[2-[(3S,5aS,6R,9aS)-2,2,5a-trimethyl-7-methylidene-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 | 1605478 |