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Maytansine

View entire compound with spectra: 1 MS (GC)

Maytansine
SpectraBase Compound ID 39LsJLULNng
InChI InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-
InChIKey WKPWGQKGSOKKOO-QGZZTLNLSA-N
Mol Weight 692.2 g/mol
Molecular Formula C34H46ClN3O10
Exact Mass 691.287172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KebHQeJ2cyq
Name Maytansine
CAS Registry Number 35846-53-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46ClN3O10
InChI InChI=1S/C34H46ClN3O10/c1-18-11-10-12-26(45-9)34(43)17-25(46-32(42)36-34)19(2)30-33(5,48-30)27(47-31(41)20(3)37(6)21(4)39)16-28(40)38(7)23-14-22(13-18)15-24(44-8)29(23)35/h10-12,14-15,19-20,25-27,30,43H,13,16-17H2,1-9H3,(H,36,42)/b12-10-,18-11-
InChIKey WKPWGQKGSOKKOO-QGZZTLNLSA-N
Molecular Weight 692.206 g/mol
SMILES OC12CC(C(C3C(C)(C(CC(N(c4cc(C\C(=C/C=C\C2OC)C)cc(OC)c4Cl)C)=O)OC(C(N(C(C)=O)C)C)=O)O3)C)OC(N1)=O
SPLASH splash10-000i-9400000000-14e982910dcf30d2ada0
Source of Spectrum ZH-613-1-0
Synonyms 4,24-Dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosane, maytansine deriv. Alanine, N-acetyl-N-methyl-, 6-ester with 11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo(19.3.1.1(10,14).0(3,5))hexacosa-10,12,14(26),16,18-pentaene-8,23-dione Ansa macrolide L-Alanine, N-acetyl-N-methyl-, 11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.1(10,14).0(3,5))hexacosa-10,12,14(26),16,18-pentaen-6-yl ester, (1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))- Maitansina Maitansine Maitansinum Maysanine Maytansin MTS N-acetyl-N-methyl-L-alanine(1S-(1R*,2S*,3R*,5R*,6R*,16E,18E,20S*,21R*))-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethy-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo(19.3.1.1(sup 10,14).0(sup 3,5))hexacosa-10,12,14(26),16,18-pentaen-6-yl ester BRN 5417399 EINECS 252-754-7
Wiley ID 1414710