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

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CASEARGREWIIN_L;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-(3-METHYLBUTANOYLOXY)-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
SpectraBase Compound ID DbYIHaJJKtE
InChI InChI=1S/C29H42O8/c1-9-17(4)10-11-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)12-16(2)3/h9-10,14,16,18,21,23-24,26-27,32H,1,11-13,15H2,2-8H3/b17-10-/t18-,21+,23+,24+,26+,27-,28-,29-/m1/s1
InChIKey HTPJIMISZAEBAL-MPACXXFOSA-N
Mol Weight 518.6 g/mol
Molecular Formula C29H42O8
Exact Mass 518.287968 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3AYwpEM53Aa
Name CASEARGREWIIN_L;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-(3-METHYLBUTANOYLOXY)-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O8
InChI InChI=1S/C29H42O8/c1-9-17(4)10-11-28(8)18(5)13-24(32)29-22(26(34-19(6)30)37-27(29)35-20(7)31)14-21(15-23(28)29)36-25(33)12-16(2)3/h9-10,14,16,18,21,23-24,26-27,32H,1,11-13,15H2,2-8H3/b17-10-/t18-,21+,23+,24+,26+,27-,28-,29-/m1/s1
InChIKey HTPJIMISZAEBAL-MPACXXFOSA-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 518.648 g/mol
Sample ID 30594
Solvent CDCl3