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WITHALONGOLIDE_A_4,19,27-TRIACETATE

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WITHALONGOLIDE_A_4,19,27-TRIACETATE
SpectraBase Compound ID FZZ2Gytxyt9
InChI InChI=1S/C34H44O10/c1-17-13-27(43-31(39)23(17)15-40-19(3)35)18(2)24-7-8-25-22-14-30-34(44-30)29(42-21(5)37)10-9-28(38)33(34,16-41-20(4)36)26(22)11-12-32(24,25)6/h9-10,18,22,24-27,29-30H,7-8,11-16H2,1-6H3/t18-,22-,24+,25-,26-,27+,29-,30+,32+,33-,34+/m0/s1
InChIKey KSMCZEDDTUJWBE-QSRYYZERSA-N
Mol Weight 612.7 g/mol
Molecular Formula C34H44O10
Exact Mass 612.293448 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwSIZr6vOE5
Name WITHALONGOLIDE_A_4,19,27-TRIACETATE
Compound Number 1B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H44O10
InChI InChI=1S/C34H44O10/c1-17-13-27(43-31(39)23(17)15-40-19(3)35)18(2)24-7-8-25-22-14-30-34(44-30)29(42-21(5)37)10-9-28(38)33(34,16-41-20(4)36)26(22)11-12-32(24,25)6/h9-10,18,22,24-27,29-30H,7-8,11-16H2,1-6H3/t18-,22-,24+,25-,26-,27+,29-,30+,32+,33-,34+/m0/s1
InChIKey KSMCZEDDTUJWBE-QSRYYZERSA-N
Literature Reference Author H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER,
Literature Reference Citation J.NAT.PROD.,74,2532(2011)
Literature Reference DOI 10.1021/np200635r
Molecular Weight 612.717 g/mol
Sample ID 39625
Solvent CDCl3