| SpectraBase Compound ID | Ew65QTevKeT |
|---|---|
| InChI | InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)19(34)12-20(39-3)32-18-13-30(36)21(40-4)14-31(37,23(26(32)33)24(41-5)25(29)32)22(18)27(30)42-28(35)17-10-8-7-9-11-17/h7-11,18-27,34,36-37H,6,12-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24+,25-,26?,27-,29+,30+,31-,32+/m1/s1 |
| InChIKey | WCJLKJORIRSXRT-MWEOYMHESA-N |
| Mol Weight | 587.7 g/mol |
| Molecular Formula | C32H45NO9 |
| Exact Mass | 587.309432 g/mol |
Mass Spectrum (GC)
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BUDWHB56DDC |
|---|---|
| Name | Ludaconitine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H45NO9 |
| InChI | InChI=1S/C32H45NO9/c1-6-33-15-29(16-38-2)19(34)12-20(39-3)32-18-13-30(36)21(40-4)14-31(37,23(26(32)33)24(41-5)25(29)32)22(18)27(30)42-28(35)17-10-8-7-9-11-17/h7-11,18-27,34,36-37H,6,12-16H2,1-5H3/t18-,19-,20+,21+,22-,23+,24+,25-,26?,27-,29+,30+,31-,32+/m1/s1 |
| InChIKey | WCJLKJORIRSXRT-MWEOYMHESA-N |
| Molecular Weight | 587.710 g/mol |
| SMILES | O[C@]1([C@@]2([C@@]3([C@]4([C@]5([C@]6([C@@]([C@@](C4N(C2)CC)([H])[C@@]3(OC)[H])(C[C@@]([C@](C5)(O)[C@@]6(OC(=O)c2ccccc2)[H])(OC)[H])O)[H])[H])[C@](C1)(OC)[H])[H])COC)[H] |
| SPLASH | splash10-0a4i-5000190000-14131efeda84e68edea0 |
| Source of Spectrum | CD-286-0-0 |
| Synonyms | (1alpha,3alpha,6alpha,14alpha,16beta)-20-ethyl-3,8,13-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Wiley ID | 1409113 |