For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
3-BETA,30-O-BIS-(2,4,5-TRICARBOXYBENZENCARBONYL)-OLEAN-11,13(18)-DIEN
SpectraBase Compound ID IEtAZBjP9e6
InChI InChI=1S/C50H56O16/c1-45(2)34-10-13-50(7)35(48(34,5)12-11-36(45)66-44(64)31-21-27(40(57)58)25(38(53)54)19-29(31)42(61)62)9-8-32-33-22-46(3,14-15-47(33,4)16-17-49(32,50)6)23-65-43(63)30-20-26(39(55)56)24(37(51)52)18-28(30)41(59)60/h8-9,18-21,34-36H,10-17,22-23H2,1-7H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t34-,35+,36-,46-,47?,48?,49?,50?/m0/s1
InChIKey BWMJYNVYCQDYIK-GRLJKPMMSA-N
Mol Weight 913.0 g/mol
Molecular Formula C50H56O16
Exact Mass 912.356836 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 4XcBYsmpBxl
Name 3-BETA,30-O-BIS-(2,4,5-TRICARBOXYBENZENCARBONYL)-OLEAN-11,13(18)-DIEN
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H56O16
InChI InChI=1S/C50H56O16/c1-45(2)34-10-13-50(7)35(48(34,5)12-11-36(45)66-44(64)31-21-27(40(57)58)25(38(53)54)19-29(31)42(61)62)9-8-32-33-22-46(3,14-15-47(33,4)16-17-49(32,50)6)23-65-43(63)30-20-26(39(55)56)24(37(51)52)18-28(30)41(59)60/h8-9,18-21,34-36H,10-17,22-23H2,1-7H3,(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/t34-,35+,36-,46-,47?,48?,49?,50?/m0/s1
InChIKey BWMJYNVYCQDYIK-GRLJKPMMSA-N
Literature Reference Author M.TSUKAHARA,T.NISHINO,I.FURUHASHI,H.INOUE,T.SATO,H.MATSUMOTO
Literature Reference Citation CHEM.PHARM.BULL.,53,1103(2005)
Literature Reference DOI 10.1248/cpb.53.1103
Molecular Weight 912.985 g/mol
Sample ID 54162
Solvent C5D5N