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Trewsine
SpectraBase Compound ID 4Hvg3GIZ33q
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjMWXxjR5mZ
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