| SpectraBase Compound ID | HkI99YVTXDQ |
|---|---|
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 |
| InChIKey | QEVHRUUCFGRFIF-MDEJGZGSSA-N |
| Mol Weight | 608.7 g/mol |
| Molecular Formula | C33H40N2O9 |
| Exact Mass | 608.273381 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Ccm4sp5VkX4 |
|---|---|
| Name | Reserpine |
| Comments | MONAID: JP003749 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H40N2O9 |
| InChI | InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 |
| InChIKey | QEVHRUUCFGRFIF-MDEJGZGSSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 608.688 g/mol |
| SMILES | [nH]1c2c(c3c1[C@@]1(N(CC3)C[C@]3(C[C@]([C@@]([C@]([C@]3(C1)[H])(C(=O)OC)[H])(OC)[H])(OC(=O)c1cc(OC)c(OC)c(OC)c1)[H])[H])[H])ccc(c2)OC |
| SPLASH | splash10-052b-0844119000-f96e4bfa74910ecdf99c |
| Source of Spectrum | SRH-2022-3749-0 |
| Wiley ID | 1826026 |