SpectraBase Compound ID | 4Hvg3GIZ33q |
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InChI | InChI=1S/C29H37ClN2O8/c1-16-9-8-10-22(37-6)29(35)15-21(39-27(34)31-29)17(2)26-28(3,40-26)12-11-23(33)32(4)19-13-18(25(16)38-7)14-20(36-5)24(19)30/h8-14,17,21-22,25-26,35H,15H2,1-7H3,(H,31,34)/b10-8+,12-11+,16-9+/t17-,21+,22-,25?,26+,28-,29+/m1/s1 |
InChIKey | IDCDDTCALLWKIH-RBUWLOBYSA-N |
Mol Weight | 577.1 g/mol |
Molecular Formula | C29H37ClN2O8 |
Exact Mass | 576.223844 g/mol |
SpectraBase Spectrum ID | CjMWXxjR5mZ |
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Name | Trewsine |
CAS Registry Number | 78987-29-8 |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C29H37ClN2O8 |
InChI | InChI=1S/C29H37ClN2O8/c1-16-9-8-10-22(37-6)29(35)15-21(39-27(34)31-29)17(2)26-28(3,40-26)12-11-23(33)32(4)19-13-18(25(16)38-7)14-20(36-5)24(19)30/h8-14,17,21-22,25-26,35H,15H2,1-7H3,(H,31,34)/b10-8+,12-11+,16-9+/t17-,21+,22-,25?,26+,28-,29+/m1/s1 |
InChIKey | IDCDDTCALLWKIH-RBUWLOBYSA-N |
Molecular Weight | 577.074 g/mol |
SMILES | O[C@]12[C@@](\C=C\C=C\(C(c3cc(c(c(N(C(\C=C\[C@@]4([C@]([C@@]([C@@](OC(N2)=O)(C1)[H])(C)[H])(O4)[H])C)=O)C)c3)Cl)OC)OC)C)(OC)[H] |
SPLASH | splash10-054o-9000000000-1327a03c8fbedce51125 |
Source of Spectrum | J-46-4402-7 |
Synonyms | 15-Methoxymaysine B820915K136 TWEWSINE (B820915K136) |
Wiley ID | 1401293 |