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

*Links on SpectraBase are not permalinks.
NIGRASIN_G;(5A-S,10A-R)-5A,10A-DIHYDRO-1,3,8,10A-TETRAHYDROXY-5A-[(2-E,6-E)-10-HYDROXY-3,7,11-TRIMETHYL-2,6,11-DODECATRIEN-1-YL]
SpectraBase Compound ID DifsboA5Qa
InChI InChI=1S/C30H34O8/c1-17(2)23(33)11-8-18(3)6-5-7-19(4)12-13-29-22-10-9-20(31)15-25(22)38-30(29,36)28(35)27-24(34)14-21(32)16-26(27)37-29/h6,9-10,12,14-16,23,31-34,36H,1,5,7-8,11,13H2,2-4H3/b18-6+,19-12+/t23?,29-,30-/m0/s1
InChIKey IZSBTQUUESEKPV-GOMYMHFFSA-N
Mol Weight 522.6 g/mol
Molecular Formula C30H34O8
Exact Mass 522.225368 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 KoDR7ADIHb7
Name NIGRASIN_G;(5A-S,10A-R)-5A,10A-DIHYDRO-1,3,8,10A-TETRAHYDROXY-5A-[(2-E,6-E)-10-HYDROXY-3,7,11-TRIMETHYL-2,6,11-DODECATRIEN-1-YL]
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O8
InChI InChI=1S/C30H34O8/c1-17(2)23(33)11-8-18(3)6-5-7-19(4)12-13-29-22-10-9-20(31)15-25(22)38-30(29,36)28(35)27-24(34)14-21(32)16-26(27)37-29/h6,9-10,12,14-16,23,31-34,36H,1,5,7-8,11,13H2,2-4H3/b18-6+,19-12+/t23?,29-,30-/m0/s1
InChIKey IZSBTQUUESEKPV-GOMYMHFFSA-N
Literature Reference Author X.HU,J.W.WU,X.D.ZHANG,Q.S.ZHAO,J.M.HUANG,H.Y.WANG,A.J.HOU
Literature Reference Citation J.NAT.PROD.,74,816(2011)
Literature Reference DOI 10.1021/np100907d
Molecular Weight 522.595 g/mol
Sample ID 37345
Solvent ACETONE-D6