John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4WFMWCnr7oP SpectraBase Spectrum ID=29yOXHWSip3

(accessed ).
KHAYSENEGANIN_G;1-O-DEACETYL-2-ALPHA-METHOXYKHAYANOLIDE_E
SpectraBase Compound ID 4WFMWCnr7oP
InChI InChI=1S/C28H34O11/c1-22-12-25(33)20-27(34)14(24(25,3)17(22)16(30)19(31)35-4)6-8-23(2)18(13-7-9-37-11-13)38-15(29)10-26(23,27)39-28(20,36-5)21(22)32/h7,9,11,14,16-18,20,30,33-34H,6,8,10,12H2,1-5H3/t14-,16-,17+,18-,20-,22+,23+,24-,25+,26-,27+,28-/m1/s1
InChIKey YUEMXSDIQPYSPO-WMXJFMFRSA-N
Mol Weight 546.6 g/mol
Molecular Formula C28H34O11
Exact Mass 546.210112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29yOXHWSip3
Name KHAYSENEGANIN_G;1-O-DEACETYL-2-ALPHA-METHOXYKHAYANOLIDE_E
Compound Number 7
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H34O11
InChI InChI=1S/C28H34O11/c1-22-12-25(33)20-27(34)14(24(25,3)17(22)16(30)19(31)35-4)6-8-23(2)18(13-7-9-37-11-13)38-15(29)10-26(23,27)39-28(20,36-5)21(22)32/h7,9,11,14,16-18,20,30,33-34H,6,8,10,12H2,1-5H3/t14-,16-,17+,18-,20-,22+,23+,24-,25+,26-,27+,28-/m1/s1
InChIKey YUEMXSDIQPYSPO-WMXJFMFRSA-N
Literature Reference Author C.M.YUAN,Y.ZHANG,G.H.TANG,Y.T.DI,M.M.CAO,X.Y.WANG,G.Y.ZUO,S. L.LI,H.M.HUA,H.P.HE,
Literature Reference Citation J.NAT.PROD.,76,327(2013)
Literature Reference DOI 10.1021/np3006919
Molecular Weight 546.571 g/mol
Sample ID 42265
Solvent CD3OD
SpectraBase Batch ID AholPLyY1Zy