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

View entire compound with spectra: 1 NMR

CASEABALANSIN_D;REL-(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-19-ACETOXY-18-ETHOXY-18,19-EPOXY-2-(2-ZETA-METHYLBUTANOYLOXY)-CLERODA-3,13-(16),14-TRIEN-
SpectraBase Compound ID 7qm1WhlxvM0
InChI InChI=1S/C29H44O7/c1-9-17(4)12-13-28(8)19(6)14-24(31)29-22(26(33-11-3)36-27(29)34-20(7)30)15-21(16-23(28)29)35-25(32)18(5)10-2/h9,15,18-19,21,23-24,26-27,31H,1,4,10-14,16H2,2-3,5-8H3/t18?,19-,21+,23+,24+,26+,27-,28-,29?/m0/s1
InChIKey TZUIFFFPPPAOBF-NMFCEYSOSA-N
Mol Weight 504.7 g/mol
Molecular Formula C29H44O7
Exact Mass 504.308704 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1B3HCpoALBz
Name CASEABALANSIN_D;REL-(2-S,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-19-ACETOXY-18-ETHOXY-18,19-EPOXY-2-(2-ZETA-METHYLBUTANOYLOXY)-CLERODA-3,13-(16),14-TRIEN-
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H44O7
InChI InChI=1S/C29H44O7/c1-9-17(4)12-13-28(8)19(6)14-24(31)29-22(26(33-11-3)36-27(29)34-20(7)30)15-21(16-23(28)29)35-25(32)18(5)10-2/h9,15,18-19,21,23-24,26-27,31H,1,4,10-14,16H2,2-3,5-8H3/t18?,19-,21+,23+,24+,26+,27-,28-,29?/m0/s1
InChIKey TZUIFFFPPPAOBF-NMFCEYSOSA-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 504.664 g/mol
Solvent CDCl3
Source File Reference UWMZ43112