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

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CASEARGREWIIN_J;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-S,19-S)-18-METHOXY,19-ACETOXY-18,19-EPOXY-2-HEXANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
SpectraBase Compound ID Konsa8FomV0
InChI InChI=1S/C29H44O7/c1-8-10-11-12-25(32)35-21-16-22-26(33-7)36-27(34-20(5)30)29(22)23(17-21)28(6,14-13-18(3)9-2)19(4)15-24(29)31/h9,13,16,19,21,23-24,26-27,31H,2,8,10-12,14-15,17H2,1,3-7H3/b18-13-/t19-,21+,23+,24+,26+,27-,28-,29-/m1/s1
InChIKey LNLATCNMZQLNMH-JHAOYEHPSA-N
Mol Weight 504.7 g/mol
Molecular Formula C29H44O7
Exact Mass 504.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3k9ushbviQm
Name CASEARGREWIIN_J;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-S,19-S)-18-METHOXY,19-ACETOXY-18,19-EPOXY-2-HEXANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O7
InChI InChI=1S/C29H44O7/c1-8-10-11-12-25(32)35-21-16-22-26(33-7)36-27(34-20(5)30)29(22)23(17-21)28(6,14-13-18(3)9-2)19(4)15-24(29)31/h9,13,16,19,21,23-24,26-27,31H,2,8,10-12,14-15,17H2,1,3-7H3/b18-13-/t19-,21+,23+,24+,26+,27-,28-,29-/m1/s1
InChIKey LNLATCNMZQLNMH-JHAOYEHPSA-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 504.664 g/mol
Sample ID 30597
Solvent CDCl3