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

*Links on SpectraBase are not permalinks.
21-BETA-O-[(2Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL
SpectraBase Compound ID CZHBZY4xQwg
InChI InChI=1S/C45H72O8/c1-13-28(5)39(51)53-38-37(52-34(48)23-27(4)16-14-15-26(2)3)40(6,7)24-30-29-17-18-32-42(10)21-20-33(47)41(8,9)31(42)19-22-43(32,11)44(29,12)35(49)36(50)45(30,38)25-46/h15,17,23,28,30-33,35-38,46-47,49-50H,13-14,16,18-22,24-25H2,1-12H3/b27-23-/t28?,30-,31?,32+,33-,35-,36+,37-,38-,42-,43+,44-,45-/m0/s1
InChIKey DJKAFHSPKABGQI-KYHJBYIOSA-N
Mol Weight 741.1 g/mol
Molecular Formula C45H72O8
Exact Mass 740.522719 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 I6L4tXCALcy
Name 21-BETA-O-[(2Z)-3,7-DIMETHYL-2,6-OCTADIENOYL]-22-ALPHA-O-(2-METHYLBUTANOYL)-R1-BARRIGENOL
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H72O8
InChI InChI=1S/C45H72O8/c1-13-28(5)39(51)53-38-37(52-34(48)23-27(4)16-14-15-26(2)3)40(6,7)24-30-29-17-18-32-42(10)21-20-33(47)41(8,9)31(42)19-22-43(32,11)44(29,12)35(49)36(50)45(30,38)25-46/h15,17,23,28,30-33,35-38,46-47,49-50H,13-14,16,18-22,24-25H2,1-12H3/b27-23-/t28?,30-,31?,32+,33-,35-,36+,37-,38-,42-,43+,44-,45-/m0/s1
InChIKey DJKAFHSPKABGQI-KYHJBYIOSA-N
Literature Reference Author M.TANG,D.SHEN,Y.HU,S.GAO,S.YU
Literature Reference Citation J.NAT.PROD.,67,1969(2004)
Literature Reference DOI 10.1021/np040013g
Molecular Weight 741.062 g/mol
Solvent C5D5N
Source File Reference UWMZ10414