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N-DESMETHYL-4,5-DESEPOXY-MAYTANSINOL
SpectraBase Compound ID JsHvFza0y4T
InChI InChI=1S/C27H35ClN2O7/c1-15-7-6-8-23(36-5)27(34)14-22(37-26(33)30-27)17(3)10-16(2)20(31)13-24(32)29-19-11-18(9-15)12-21(35-4)25(19)28/h6-8,10-12,17,20,22-23,31,34H,9,13-14H2,1-5H3,(H,29,32)(H,30,33)/b8-6+,15-7+,16-10+/t17-,20-,22-,23+,27-/m0/s1
InChIKey LWEZDLMHKGUTCV-BNPWFJPTSA-N
Mol Weight 535.0 g/mol
Molecular Formula C27H35ClN2O7
Exact Mass 534.213279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8c0AJUtOzwt
Name N-DESMETHYL-4,5-DESEPOXY-MAYTANSINOL
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H35ClN2O7
InChI InChI=1S/C27H35ClN2O7/c1-15-7-6-8-23(36-5)27(34)14-22(37-26(33)30-27)17(3)10-16(2)20(31)13-24(32)29-19-11-18(9-15)12-21(35-4)25(19)28/h6-8,10-12,17,20,22-23,31,34H,9,13-14H2,1-5H3,(H,29,32)(H,30,33)/b8-6+,15-7+,16-10+/t17-,20-,22-,23+,27-/m0/s1
InChIKey LWEZDLMHKGUTCV-BNPWFJPTSA-N
Literature Reference Author T.KNOBLOCH,G.DRAEGER,W.COLLISI,F.SASSE,A.KIRSCHNING
Literature Reference Citation BEIL.J.ORG.CHEM.,8,861(2012)
Literature Reference DOI 10.3762/bjoc.8.96
Molecular Weight 535.037 g/mol
Solvent CD3OD
Source File Reference UWIR10590