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CASEARGREWIIN_G;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-BUTANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE

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CASEARGREWIIN_G;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-BUTANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
SpectraBase Compound ID JG0aB4WRYHj
InChI InChI=1S/C27H40O7/c1-8-10-23(30)33-19-14-20-24(31-7)34-25(32-18(5)28)27(20)21(15-19)26(6,12-11-16(3)9-2)17(4)13-22(27)29/h9,11,14,17,19,21-22,24-25,29H,2,8,10,12-13,15H2,1,3-7H3/b16-11-/t17-,19+,21+,22+,24+,25-,26-,27-/m1/s1
InChIKey HYYVVSPRNZXNBO-MXRYFZCASA-N
Mol Weight 476.6 g/mol
Molecular Formula C27H40O7
Exact Mass 476.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MY74slScQW
Name CASEARGREWIIN_G;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-BUTANOYLOXY-6-HYDROXYCLERODY-3,12-(Z),14-TRIENE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O7
InChI InChI=1S/C27H40O7/c1-8-10-23(30)33-19-14-20-24(31-7)34-25(32-18(5)28)27(20)21(15-19)26(6,12-11-16(3)9-2)17(4)13-22(27)29/h9,11,14,17,19,21-22,24-25,29H,2,8,10,12-13,15H2,1,3-7H3/b16-11-/t17-,19+,21+,22+,24+,25-,26-,27-/m1/s1
InChIKey HYYVVSPRNZXNBO-MXRYFZCASA-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 476.610 g/mol
Sample ID 30593
Solvent CDCl3