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CASEABALANSIN_C;REL-(2-R,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-2,19-DIACETOXY-18-ETHOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-18,19-OXOLANE

View entire compound with spectra: 1 NMR

CASEABALANSIN_C;REL-(2-R,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-2,19-DIACETOXY-18-ETHOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-18,19-OXOLANE
SpectraBase Compound ID 85XCacvsQl0
InChI InChI=1S/C27H40O7/c1-9-16(3)11-12-26(7)17(4)13-23(30-8)27-21(14-20(15-22(26)27)32-18(5)28)24(31-10-2)34-25(27)33-19(6)29/h9,14,17,20,22-25H,1,3,10-13,15H2,2,4-8H3/t17-,20-,22+,23+,24+,25-,26-,27?/m0/s1
InChIKey TWFKTSOJWWQSLG-VWWKRZHPSA-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 KJLQbap1N6S
Name CASEABALANSIN_C;REL-(2-R,5-R,6-R,8-S,9-S,10-R,18-S,19-R)-2,19-DIACETOXY-18-ETHOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-18,19-OXOLANE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O7
InChI InChI=1S/C27H40O7/c1-9-16(3)11-12-26(7)17(4)13-23(30-8)27-21(14-20(15-22(26)27)32-18(5)28)24(31-10-2)34-25(27)33-19(6)29/h9,14,17,20,22-25H,1,3,10-13,15H2,2,4-8H3/t17-,20-,22+,23+,24+,25-,26-,27?/m0/s1
InChIKey TWFKTSOJWWQSLG-VWWKRZHPSA-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 476.610 g/mol
Solvent CDCl3
Source File Reference UWMZ43110