John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=F8varC9R2Sr SpectraBase Spectrum ID=2bK7xE927JU

(accessed ).
(1R,2R,3S,4R,5Z,7S,8R,9S,10S,11R,12S,14S,17R)-BRIAEXCAVATIN-O
SpectraBase Compound ID F8varC9R2Sr
InChI InChI=1S/C30H42O13/c1-9-10-21(36)42-24-23(38-15(4)31)13(2)11-20-30(29(8,43-30)27(37)41-20)25(39-16(5)32)22-14(3)18(34)12-19(35)28(22,7)26(24)40-17(6)33/h11,14,18-20,22-26,34-35H,9-10,12H2,1-8H3/b13-11-/t14-,18-,19-,20-,22+,23+,24-,25-,26-,28-,29-,30-/m0/s1
InChIKey GRANEUVTBSLGKC-GYKQGYDPSA-N
Mol Weight 610.7 g/mol
Molecular Formula C30H42O13
Exact Mass 610.262542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bK7xE927JU
Name (1R,2R,3S,4R,5Z,7S,8R,9S,10S,11R,12S,14S,17R)-BRIAEXCAVATIN-O
Compound Number 3
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H42O13
InChI InChI=1S/C30H42O13/c1-9-10-21(36)42-24-23(38-15(4)31)13(2)11-20-30(29(8,43-30)27(37)41-20)25(39-16(5)32)22-14(3)18(34)12-19(35)28(22,7)26(24)40-17(6)33/h11,14,18-20,22-26,34-35H,9-10,12H2,1-8H3/b13-11-/t14-,18-,19-,20-,22+,23+,24-,25-,26-,28-,29-,30-/m0/s1
InChIKey GRANEUVTBSLGKC-GYKQGYDPSA-N
Literature Reference Author P.J.SUNG,M.R.LIN,T.L.HWANG,T.Y.FAN,W.C.SU,C.C.HO,L.S.FANG,W. H.WANG
Literature Reference Citation CHEM.PHARM.BULL.,56,930(2008)
Literature Reference DOI 10.1248/cpb.56.930
Molecular Weight 610.656 g/mol
Sample ID 1854
Solvent CDCl3
SpectraBase Batch ID JSqQLJqdk3m