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CASEARGREWIIN_E;REL-(2-R,5-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-BUTANOYLOXYCLERO-3,12-(Z),14-TRIENE
SpectraBase Compound ID 3DPJvqPHd1E
InChI InChI=1S/C28H40O7/c1-8-10-24(31)34-21-15-22-25(32-19(5)29)35-26(33-20(6)30)28(22)14-12-18(4)27(7,23(28)16-21)13-11-17(3)9-2/h9,11,15,18,21,23,25-26H,2,8,10,12-14,16H2,1,3-7H3/b17-11-/t18-,21+,23+,25+,26-,27-,28-/m1/s1
InChIKey UIVLKULAENGHMF-QSBPWGSHSA-N
Mol Weight 488.6 g/mol
Molecular Formula C28H40O7
Exact Mass 488.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FqqQp3rNXFl
Name CASEARGREWIIN_E;REL-(2-R,5-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-BUTANOYLOXYCLERO-3,12-(Z),14-TRIENE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O7
InChI InChI=1S/C28H40O7/c1-8-10-24(31)34-21-15-22-25(32-19(5)29)35-26(33-20(6)30)28(22)14-12-18(4)27(7,23(28)16-21)13-11-17(3)9-2/h9,11,15,18,21,23,25-26H,2,8,10,12-14,16H2,1,3-7H3/b17-11-/t18-,21+,23+,25+,26-,27-,28-/m1/s1
InChIKey UIVLKULAENGHMF-QSBPWGSHSA-N
Literature Reference Author S.KANOKMEDHAKUL,K.KANOKMEDHAKUL,M.BUAYAIRAKSA
Literature Reference Citation J.NAT.PROD.,70,1122(2007)
Literature Reference DOI 10.1021/np070083y
Molecular Weight 488.621 g/mol
Sample ID 30591
Solvent CDCl3