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2-EPICASEABALANSIN_B;REL-(2-S,4-S,5-R,8-S,9-S,10-R,18-S,19-R)-18-BUTANOYLOXY-19-ACETOXY-18,19-EPOXYCLERODA-13-(16),14-DIEN-2-OL

View entire compound with spectra: 1 NMR

2-EPICASEABALANSIN_B;REL-(2-S,4-S,5-R,8-S,9-S,10-R,18-S,19-R)-18-BUTANOYLOXY-19-ACETOXY-18,19-EPOXYCLERODA-13-(16),14-DIEN-2-OL
SpectraBase Compound ID 8pBqeV77SGp
InChI InChI=1S/C26H40O6/c1-7-9-22(29)31-23-20-14-19(28)15-21-25(6,12-10-16(3)8-2)17(4)11-13-26(20,21)24(32-23)30-18(5)27/h8,17,19-21,23-24,28H,2-3,7,9-15H2,1,4-6H3/t17-,19+,20+,21+,23+,24-,25-,26-/m0/s1
InChIKey PPMBXKDPXYHOGH-CZROZBDGSA-N
Mol Weight 448.6 g/mol
Molecular Formula C26H40O6
Exact Mass 448.282489 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K4NyWNrNMFY
Name 2-EPICASEABALANSIN_B;REL-(2-S,4-S,5-R,8-S,9-S,10-R,18-S,19-R)-18-BUTANOYLOXY-19-ACETOXY-18,19-EPOXYCLERODA-13-(16),14-DIEN-2-OL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H40O6
InChI InChI=1S/C26H40O6/c1-7-9-22(29)31-23-20-14-19(28)15-21-25(6,12-10-16(3)8-2)17(4)11-13-26(20,21)24(32-23)30-18(5)27/h8,17,19-21,23-24,28H,2-3,7,9-15H2,1,4-6H3/t17-,19+,20+,21+,23+,24-,25-,26-/m0/s1
InChIKey PPMBXKDPXYHOGH-CZROZBDGSA-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 448.600 g/mol
Solvent CDCl3
Source File Reference UWMZ43107