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CASEABALANSIN_E;REL-(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-18,19-EPOXY-6,18-DIMETHOXY-2-(2-ZETA-METHYLBUTANOYLOXY)-CLERODA-3,13-(16),14-TRIEN-19-OL

View entire compound with spectra: 1 NMR

CASEABALANSIN_E;REL-(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-18,19-EPOXY-6,18-DIMETHOXY-2-(2-ZETA-METHYLBUTANOYLOXY)-CLERODA-3,13-(16),14-TRIEN-19-OL
SpectraBase Compound ID GBlpKVBIujJ
InChI InChI=1S/C27H42O6/c1-9-16(3)11-12-26(6)18(5)13-22(30-7)27-20(24(31-8)33-25(27)29)14-19(15-21(26)27)32-23(28)17(4)10-2/h9,14,17-19,21-22,24-25,29H,1,3,10-13,15H2,2,4-8H3/t17?,18-,19+,21+,22+,24+,25-,26-,27?/m0/s1
InChIKey MMFMSRQVRZJFCQ-RRHSTNTCSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GXRxjf3dIrn
Name CASEABALANSIN_E;REL-(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-18,19-EPOXY-6,18-DIMETHOXY-2-(2-ZETA-METHYLBUTANOYLOXY)-CLERODA-3,13-(16),14-TRIEN-19-OL
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-9-16(3)11-12-26(6)18(5)13-22(30-7)27-20(24(31-8)33-25(27)29)14-19(15-21(26)27)32-23(28)17(4)10-2/h9,14,17-19,21-22,24-25,29H,1,3,10-13,15H2,2,4-8H3/t17?,18-,19+,21+,22+,24+,25-,26-,27?/m0/s1
InChIKey MMFMSRQVRZJFCQ-RRHSTNTCSA-N
Literature Reference Author B.WANG,X.L.WANG,S.Q.WANG,T.SHEN,Y.Q.LIU,H.YUAN,H.X.LOU,X.N.W ANG
Literature Reference Citation J.NAT.PROD.,76,1573(2013)
Literature Reference DOI 10.1021/np400212d
Molecular Weight 462.627 g/mol
Solvent CD3OD
Source File Reference UWMZ43113