| SpectraBase Compound ID | Jz8I0jTkTjb |
|---|---|
| InChI | InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22?,23?,24-,25+,26-,27?,28+,29-,30?,32-,33+,34+,35-/m0/s1 |
| InChIKey | GAZDXIGXYWVWQX-AUWOESEMSA-N |
| Mol Weight | 643.8 g/mol |
| Molecular Formula | C35H49NO10 |
| Exact Mass | 643.335647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | ANcaSkuE0zA |
|---|---|
| Name | Crassicauline A |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C35H49NO10 |
| InChI | InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22?,23?,24-,25+,26-,27?,28+,29-,30?,32-,33+,34+,35-/m0/s1 |
| InChIKey | GAZDXIGXYWVWQX-AUWOESEMSA-N |
| Molecular Weight | 643.774 g/mol |
| SMILES | O[C@@]12[C@](C[C@@]3([C@@]4([C@@]5(N(C[C@]6([C@@](C4OC)([C@]5(C([C@@]3(C2OC(c2ccc(cc2)OC)=O)[H])C1)C(CC6)OC)[H])COC)CC)[H])[H])OC(=O)C)(OC)[H] |
| SPLASH | splash10-0ik9-5320294000-c2394a9325efdb745807 |
| Source of Spectrum | CD-294-0-0 |
| Wiley ID | 1412787 |