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CASEARLUCIN-I;(2S,5R,6R,8S,9S,10R,12S,18S,19R)-18,19-DIACETOXY-18,19-EPOXY-6,12-DIHYDROXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,13(16),14-TRIENE

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CASEARLUCIN-I;(2S,5R,6R,8S,9S,10R,12S,18S,19R)-18,19-DIACETOXY-18,19-EPOXY-6,12-DIHYDROXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,13(16),14-TRIENE
SpectraBase Compound ID 3LUnaGNmVY2
InChI InChI=1S/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17?,20-,22-,23-,24-,26-,27+,28+,29+/m1/s1
InChIKey FVXRSGIAXHNGNZ-WHLNSSRCSA-N
Mol Weight 534.6 g/mol
Molecular Formula C29H42O9
Exact Mass 534.282883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ceTrNpwygb
Name CASEARLUCIN-I;(2S,5R,6R,8S,9S,10R,12S,18S,19R)-18,19-DIACETOXY-18,19-EPOXY-6,12-DIHYDROXY-2-(2-XI-METHYLBUTANOYLOXY)-CLERODA-3,13(16),14-TRIENE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42O9
InChI InChI=1S/C29H42O9/c1-9-15(3)22(32)14-28(8)17(5)11-24(33)29-21(26(35-18(6)30)38-27(29)36-19(7)31)12-20(13-23(28)29)37-25(34)16(4)10-2/h9,12,16-17,20,22-24,26-27,32-33H,1,3,10-11,13-14H2,2,4-8H3/t16?,17?,20-,22-,23-,24-,26-,27+,28+,29+/m1/s1
InChIKey FVXRSGIAXHNGNZ-WHLNSSRCSA-N
Literature Reference Author C.V.S.PRAKASH,J.M.HOCH,D.G.I.KINGSTON
Literature Reference Citation J.NAT.PROD.,65,100(2002)
Literature Reference DOI 10.1021/np010405c
Molecular Weight 534.647 g/mol
Solvent CDCl3
Source File Reference UWSI2701