John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9TQ9lpY0XJ2 SpectraBase Spectrum ID=ASNe3hxf28K

(accessed ).
INCARVILLATEINE-D
SpectraBase Compound ID 9TQ9lpY0XJ2
InChI InChI=1S/C41H56N2O7/c1-21-17-42(5)19-30-23(3)33(15-28(21)30)49-40(46)38-36(25-8-11-27(44)12-9-25)39(37(38)26-10-13-32(45)35(14-26)48-7)41(47)50-34-16-29-22(2)18-43(6)20-31(29)24(34)4/h8-14,21-24,28-31,33-34,36-39,44-45H,15-20H2,1-7H3/t21-,22-,23-,24-,28-,29-,30-,31-,33+,34+,36-,37-,38-,39-/m0/s1
InChIKey JMQHOPANKAOTDB-YJRQZKBNSA-N
Mol Weight 688.9 g/mol
Molecular Formula C41H56N2O7
Exact Mass 688.408753 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ASNe3hxf28K
Name INCARVILLATEINE-D
Compound Number 2
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H56N2O7
InChI InChI=1S/C41H56N2O7/c1-21-17-42(5)19-30-23(3)33(15-28(21)30)49-40(46)38-36(25-8-11-27(44)12-9-25)39(37(38)26-10-13-32(45)35(14-26)48-7)41(47)50-34-16-29-22(2)18-43(6)20-31(29)24(34)4/h8-14,21-24,28-31,33-34,36-39,44-45H,15-20H2,1-7H3/t21-,22-,23-,24-,28-,29-,30-,31-,33+,34+,36-,37-,38-,39-/m0/s1
InChIKey JMQHOPANKAOTDB-YJRQZKBNSA-N
Literature Reference Author M.NAKAMURA,Y.M.CHI,J.KINJO,W.M.YAN,T.NOHARA
Literature Reference Citation PHYTOCHEM.,51,595(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00003-5
Molecular Weight 688.905 g/mol
Solvent CDCl3
Source File Reference UWSI8825
SpectraBase Batch ID BS8zxuwaqGQ