| SpectraBase Compound ID | LDQnosXh7wx |
|---|---|
| InChI | InChI=1S/C34H49NO10/c1-8-35-16-31(17-39-2)12-11-22(42-5)34-19-14-32(37)23(43-6)15-33(38,25(28(34)35)26(44-7)27(31)34)24(19)29(32)45-30(36)18-9-10-20(40-3)21(13-18)41-4/h9-10,13,19,22-29,37-38H,8,11-12,14-17H2,1-7H3/t19-,22?,23+,24-,25+,26?,27-,28-,29?,31+,32-,33-,34+/m1/s1 |
| InChIKey | NQZDBCQEBHKZPJ-FKVOFCMJSA-N |
| Mol Weight | 631.8 g/mol |
| Molecular Formula | C34H49NO10 |
| Exact Mass | 631.335647 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5QgtbOLCz1Q |
|---|---|
| Name | Veratroylbikhaconine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C34H49NO10 |
| InChI | InChI=1S/C34H49NO10/c1-8-35-16-31(17-39-2)12-11-22(42-5)34-19-14-32(37)23(43-6)15-33(38,25(28(34)35)26(44-7)27(31)34)24(19)29(32)45-30(36)18-9-10-20(40-3)21(13-18)41-4/h9-10,13,19,22-29,37-38H,8,11-12,14-17H2,1-7H3/t19-,22?,23+,24-,25+,26?,27-,28-,29?,31+,32-,33-,34+/m1/s1 |
| InChIKey | NQZDBCQEBHKZPJ-FKVOFCMJSA-N |
| Molecular Weight | 631.763 g/mol |
| SMILES | O[C@@]12C[C@@]3([C@@]([C@@]([C@@]4([C@@]5([C@@]33[C@](C4OC)([C@@](CN5CC)(COC)CCC3OC)[H])[H])[H])(C[C@@]2(OC)[H])O)(C1OC(c1cc(OC)c(cc1)OC)=O)[H])[H] |
| SPLASH | splash10-0udi-0000009000-4e2f3216bac12eece491 |
| Source of Spectrum | H1-34-442-10 |
| Synonyms | (16beta)-20-ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate |
| Wiley ID | 754471 |