John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F3h6RYToNxc SpectraBase Spectrum ID=Fxz2LDzjmUC

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METHYLPENDOLMYCIN-14-O-ALPHA-GLUCOSIDE
SpectraBase Compound ID F3h6RYToNxc
InChI InChI=1S/C29H43N3O7/c1-7-15(3)23-27(37)31-17(14-38-28-26(36)25(35)24(34)20(13-33)39-28)11-16-12-30-22-18(29(4,5)8-2)9-10-19(21(16)22)32(23)6/h8-10,12,15,17,20,23-26,28,30,33-36H,2,7,11,13-14H2,1,3-6H3,(H,31,37)/t15-,17-,20+,23-,24+,25-,26+,28+/m0/s1
InChIKey NJXBUEOOZBMGFZ-HSFYLJGDSA-N
Mol Weight 545.7 g/mol
Molecular Formula C29H43N3O7
Exact Mass 545.310101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fxz2LDzjmUC
Name METHYLPENDOLMYCIN-14-O-ALPHA-GLUCOSIDE
Compound Number 6
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H43N3O7
InChI InChI=1S/C29H43N3O7/c1-7-15(3)23-27(37)31-17(14-38-28-26(36)25(35)24(34)20(13-33)39-28)11-16-12-30-22-18(29(4,5)8-2)9-10-19(21(16)22)32(23)6/h8-10,12,15,17,20,23-26,28,30,33-36H,2,7,11,13-14H2,1,3-6H3,(H,31,37)/t15-,17-,20+,23-,24+,25-,26+,28+/m0/s1
InChIKey NJXBUEOOZBMGFZ-HSFYLJGDSA-N
Literature Reference Author H.HUANG,Y.YAO,Z.HE,T.YANG,J.MA,X.TIAN,Y.LI,C.HUANG,X.CHEN,W. LI,S.ZHANG,C.ZHANG,J
Literature Reference Citation J.NAT.PROD.,74,2122(2011)
Literature Reference DOI 10.1021/np200399t
Molecular Weight 545.676 g/mol
Sample ID 39360
Solvent CDCl3
SpectraBase Batch ID BmaFdWPZ6iI