| SpectraBase Compound ID | B03ZHxS66EC |
|---|---|
| InChI | InChI=1S/C33H45NO10/c1-7-34-15-30(16-39-2)21(35)13-22(42-5)33-18-14-31(37)10-11-32(38,24(27(33)34)25(43-6)26(30)33)23(18)28(31)44-29(36)17-8-9-19(40-3)20(12-17)41-4/h8-12,18,21-28,35,37-38H,7,13-16H2,1-6H3/t18?,21?,22?,23?,24?,25?,26?,27?,28?,30-,31+,32+,33?/m0/s1 |
| InChIKey | NJYZKZQUSDVDQW-RTZLWNHCSA-N |
| Mol Weight | 615.7 g/mol |
| Molecular Formula | C33H45NO10 |
| Exact Mass | 615.304347 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CyoxaBhiBOT |
|---|---|
| Name | 16-Deomethoxy-15,16-dehydroveratroylpseudaconine |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H45NO10 |
| InChI | InChI=1S/C33H45NO10/c1-7-34-15-30(16-39-2)21(35)13-22(42-5)33-18-14-31(37)10-11-32(38,24(27(33)34)25(43-6)26(30)33)23(18)28(31)44-29(36)17-8-9-19(40-3)20(12-17)41-4/h8-12,18,21-28,35,37-38H,7,13-16H2,1-6H3/t18?,21?,22?,23?,24?,25?,26?,27?,28?,30-,31+,32+,33?/m0/s1 |
| InChIKey | NJYZKZQUSDVDQW-RTZLWNHCSA-N |
| Molecular Weight | 615.720 g/mol |
| SMILES | OC1[C@@]2(C3C4(C5C6[C@@](C(C4N(C2)CC)C3OC)(C=C[C@](C5)(O)C6OC(c2cc(OC)c(cc2)OC)=O)O)C(C1)OC)COC |
| SPLASH | splash10-001i-0000090000-d57a1e8c4144c0afe55e |
| Source of Spectrum | H1-34-443-11 |
| Synonyms | 20-ethyl-3,8,13-trihydroxy-1,6-dimethoxy-4-(methoxymethyl)aconit-15-en-14-yl 3,4-dimethoxybenzoate |
| Wiley ID | 754470 |