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CASEABALANSIN_G;REL-(5-R,6-R,8-S,9-S,10-R,18-S,19-R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-2-ONE

View entire compound with spectra: 1 NMR

CASEABALANSIN_G;REL-(5-R,6-R,8-S,9-S,10-R,18-S,19-R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-2-ONE
SpectraBase Compound ID 5XcdCZtnHBi
InChI InChI=1S/C27H38O7/c1-8-10-23(30)33-24-20-14-19(29)15-21-26(6,12-11-16(3)9-2)17(4)13-22(31-7)27(20,21)25(34-24)32-18(5)28/h9,14,17,21-22,24-25H,2-3,8,10-13,15H2,1,4-7H3/t17-,21+,22+,24+,25-,26-,27?/m0/s1
InChIKey IBCAWXJQHQPFKN-UNYCOODESA-N
Mol Weight 474.6 g/mol
Molecular Formula C27H38O7
Exact Mass 474.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E52RksOWEZF
Name CASEABALANSIN_G;REL-(5-R,6-R,8-S,9-S,10-R,18-S,19-R)-19-ACETOXY-18-BUTANOYLOXY-18,19-EPOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-2-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H38O7
InChI InChI=1S/C27H38O7/c1-8-10-23(30)33-24-20-14-19(29)15-21-26(6,12-11-16(3)9-2)17(4)13-22(31-7)27(20,21)25(34-24)32-18(5)28/h9,14,17,21-22,24-25H,2-3,8,10-13,15H2,1,4-7H3/t17-,21+,22+,24+,25-,26-,27?/m0/s1
InChIKey IBCAWXJQHQPFKN-UNYCOODESA-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 474.595 g/mol
Solvent CDCl3
Source File Reference UWMZ43115