John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=BMzKdIK7EJN SpectraBase Spectrum ID=Ckt5rGET7AD

(accessed ).
INCARVILLATEINE-E
SpectraBase Compound ID BMzKdIK7EJN
InChI InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3/b28-17+/t29-,30-,31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,44+,45+,46+,49-,50-,53-/m0/s1
InChIKey LKEOSIWTLAAPOY-GHEYSOFQSA-N
Mol Weight 888.2 g/mol
Molecular Formula C53H81N3O8
Exact Mass 887.602367 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Ckt5rGET7AD
Name INCARVILLATEINE-E
Compound Number 1
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C53H81N3O8
InChI InChI=1S/C53H81N3O8/c1-28(17-48(58)62-44-19-36-29(2)22-54(9)25-39(36)32(44)5)13-15-42-49(51(59)63-45-20-37-30(3)23-55(10)26-40(37)33(45)6)50(35-14-16-43(57)47(18-35)61-12)53(42,8)52(60)64-46-21-38-31(4)24-56(11)27-41(38)34(46)7/h14,16-18,29-34,36-42,44-46,49-50,57H,13,15,19-27H2,1-12H3/b28-17+/t29-,30-,31-,32-,33-,34-,36-,37-,38-,39-,40-,41-,42-,44+,45+,46+,49-,50-,53-/m0/s1
InChIKey LKEOSIWTLAAPOY-GHEYSOFQSA-N
Literature Reference Author Y.M.CHI,M.NAKAMURA,X.Y.ZHAO,T.YOSHIZAWA,W.M.YAN,F.HASHIMOTO, J.KINJO,T.NOHARA
Literature Reference Citation CHEM.PHARM.BULL.,53,1178(2005)
Literature Reference DOI 10.1248/cpb.53.1178
Molecular Weight 888.241 g/mol
Sample ID 54085
Solvent Unknown
SpectraBase Batch ID Kh3BnkfKJkg