John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=INSbsV0lvbl SpectraBase Spectrum ID=28sHTWgrION

(accessed ).
(trans)-epothilone c-1
SpectraBase Compound ID INSbsV0lvbl
InChI InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7+,16-12+/t15-,17?,18+,21-,22-,24-/m0/s1
InChIKey GGEZPMGQYPDHAV-NKUMXANVSA-N
Mol Weight 463.6 g/mol
Molecular Formula C25H37NO5S
Exact Mass 463.239245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28sHTWgrION
Name TRANS-EPOTHILONE-C1
Compound Number 28
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H37NO5S
InChI InChI=1S/C25H37NO5S/c1-15-10-8-6-7-9-11-22(16(2)12-20-14-32-19(5)26-20)31-23(28)13-21(27)17(3)25(30)18(4)24(15)29/h7,9,12,14-15,17-18,21-22,24,27,29H,6,8,10-11,13H2,1-5H3/b9-7+,16-12+/t15-,17?,18+,21-,22-,24-/m0/s1
InChIKey GGEZPMGQYPDHAV-NKUMXANVSA-N
Literature Reference Author I.H.HARDT,H.STEINMETZ,K.GERTH,F.SASSE,H.REICHENBACH,G.HOEFLE
Literature Reference Citation J.NAT.PROD.,64,847(2001)
Literature Reference DOI 10.1021/np000629f
Molecular Weight 463.632 g/mol
Solvent CDCl3
Source File Reference UWSI1310
SpectraBase Batch ID IUobn7JnkHi