| SpectraBase Compound ID | 2S1PUWbFGha |
|---|---|
| InChI | InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17?,18-,19-,20?,21?,22+,23?,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1 |
| InChIKey | DHJXZSFKLJCHLH-XNVSZEEUSA-N |
| Mol Weight | 603.7 g/mol |
| Molecular Formula | C32H45NO10 |
| Exact Mass | 603.304347 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2InxjHy7wKv |
|---|---|
| Name | 1-epi-Decetylaconitine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H45NO10 |
| InChI | InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17?,18-,19-,20?,21?,22+,23?,24?,25+,26-,27+,29+,30-,31+,32-/m1/s1 |
| InChIKey | DHJXZSFKLJCHLH-XNVSZEEUSA-N |
| Molecular Weight | 603.709 g/mol |
| SMILES | O[C@]1([C@@]2(C3[C@]4(C5C6[C@@](C(C4N(C2)CC)[C@@]3(OC)[H])([C@]([C@@]([C@](C5)(O)[C@@]6(OC(=O)c2ccccc2)[H])(OC)[H])(O)[H])O)[C@@](C1)(OC)[H])COC)[H] |
| SPLASH | splash10-05fr-0600090000-82fb952bad8ed148e99d |
| Source of Spectrum | H1-53-2031-1 |
| Synonyms | (1beta,3alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Wiley ID | 817860 |