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

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CASEARGREWIIN_F;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-BUTANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
SpectraBase Compound ID 9N0WGeWbmvx
InChI InChI=1S/C28H40O8/c1-8-10-24(32)35-20-14-21-25(33-18(5)29)36-26(34-19(6)30)28(21)22(15-20)27(7,12-11-16(3)9-2)17(4)13-23(28)31/h9,11,14,17,20,22-23,25-26,31H,2,8,10,12-13,15H2,1,3-7H3/b16-11-/t17-,20+,22+,23+,25+,26-,27-,28-/m1/s1
InChIKey KXTKGXJAUXXXBP-ZAQWCCOOSA-N
Mol Weight 504.6 g/mol
Molecular Formula C28H40O8
Exact Mass 504.272318 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C42QjNJutig
Name CASEARGREWIIN_F;REL-(2-R,5-S,6-S,8-R,9-R,10-S,18-R,19-S)-18,19-DIACETOXY-18,19-EPOXY-2-BUTANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H40O8
InChI InChI=1S/C28H40O8/c1-8-10-24(32)35-20-14-21-25(33-18(5)29)36-26(34-19(6)30)28(21)22(15-20)27(7,12-11-16(3)9-2)17(4)13-23(28)31/h9,11,14,17,20,22-23,25-26,31H,2,8,10,12-13,15H2,1,3-7H3/b16-11-/t17-,20+,22+,23+,25+,26-,27-,28-/m1/s1
InChIKey KXTKGXJAUXXXBP-ZAQWCCOOSA-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 504.621 g/mol
Sample ID 30592
Solvent CDCl3