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CASEARGREWIIN_I;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-HEXANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE

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CASEARGREWIIN_I;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-HEXANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
SpectraBase Compound ID Il8BGbgjZsI
InChI InChI=1S/C30H44O8/c1-8-10-11-12-26(34)37-22-16-23-27(35-20(5)31)38-28(36-21(6)32)30(23)24(17-22)29(7,14-13-18(3)9-2)19(4)15-25(30)33/h9,13,16,19,22,24-25,27-28,33H,2,8,10-12,14-15,17H2,1,3-7H3/b18-13-/t19-,22+,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey OWZBTGIYKSYHIP-AHVFBGDZSA-N
Mol Weight 532.7 g/mol
Molecular Formula C30H44O8
Exact Mass 532.303618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IKV3AqpU2I7
Name CASEARGREWIIN_I;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-HEXANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H44O8
InChI InChI=1S/C30H44O8/c1-8-10-11-12-26(34)37-22-16-23-27(35-20(5)31)38-28(36-21(6)32)30(23)24(17-22)29(7,14-13-18(3)9-2)19(4)15-25(30)33/h9,13,16,19,22,24-25,27-28,33H,2,8,10-12,14-15,17H2,1,3-7H3/b18-13-/t19-,22+,24+,25+,27+,28-,29-,30-/m1/s1
InChIKey OWZBTGIYKSYHIP-AHVFBGDZSA-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 532.675 g/mol
Sample ID 30596
Solvent CDCl3