| SpectraBase Compound ID | 7MeFEPkfvHK |
|---|---|
| InChI | InChI=1S/C36H60O9/c1-22(37)41-27-14-18-33(8)25(35(10,40)20-16-29(33)44-31(27,4)5)12-13-26-34(9)19-15-28(42-23(2)38)32(6,7)45-30(34)17-21-36(26,11)43-24(3)39/h25-30,40H,12-21H2,1-11H3/t25-,26-,27-,28-,29-,30-,33-,34-,35+,36-/m0/s1 |
| InChIKey | OZEHXGNTZFKTQU-JELIJPQXSA-N |
| Mol Weight | 636.9 g/mol |
| Molecular Formula | C36H60O9 |
| Exact Mass | 636.423734 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 747FWs7zB6k |
|---|---|
| Name | 15,21-Dideacetyl-10-acetoxy-4-acetyl-28-hydro-Raspacionin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H60O9 |
| InChI | InChI=1S/C36H60O9/c1-22(37)41-27-14-18-33(8)25(35(10,40)20-16-29(33)44-31(27,4)5)12-13-26-34(9)19-15-28(42-23(2)38)32(6,7)45-30(34)17-21-36(26,11)43-24(3)39/h25-30,40H,12-21H2,1-11H3/t25-,26-,27-,28-,29-,30-,33-,34-,35+,36-/m0/s1 |
| InChIKey | OZEHXGNTZFKTQU-JELIJPQXSA-N |
| Molecular Weight | 636.867 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)(OC(=O)C)[H])[H])[H])[H])C |
| SPLASH | splash10-03l0-0003910000-b4627e27fa9e06bc5f9e |
| Source of Spectrum | X2-57-789-10 |
| Synonyms | Acetic acid [(3S,5aS,6S,7R,9aS)-6-[2-[(3S,5aS,6S,7S,9aS)-3,7-diacetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[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-[(3S,5aS,6S,7S,9aS)-3,7-diacetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[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-[(3S,5aS,6S,7S,9aS)-3,7-diacetoxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[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-[(3S,5aS,6S,7S,9aS)-3,7-diacetyloxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydro-3H-benzo[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 |
| Wiley ID | 1605473 |