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

View entire compound with spectra: 1 NMR

CASEABALANSIN_F;REL-(5-R,6-R,8-S,9-S,10-R,18-S,19-R)-18,19-DIACETOXY-18,19-EPOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-2-ONE
SpectraBase Compound ID LrMUPV53wnh
InChI InChI=1S/C25H34O7/c1-8-14(2)9-10-24(6)15(3)11-21(29-7)25-19(12-18(28)13-20(24)25)22(30-16(4)26)32-23(25)31-17(5)27/h8,12,15,20-23H,1-2,9-11,13H2,3-7H3/t15-,20+,21+,22+,23-,24-,25?/m0/s1
InChIKey PNDRXCYFFUDPGO-RBEJQBOCSA-N
Mol Weight 446.5 g/mol
Molecular Formula C25H34O7
Exact Mass 446.230453 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7oJ4pAUaOFy
Name CASEABALANSIN_F;REL-(5-R,6-R,8-S,9-S,10-R,18-S,19-R)-18,19-DIACETOXY-18,19-EPOXY-6-METHOXYCLERODA-3,13-(16),14-TRIEN-2-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H34O7
InChI InChI=1S/C25H34O7/c1-8-14(2)9-10-24(6)15(3)11-21(29-7)25-19(12-18(28)13-20(24)25)22(30-16(4)26)32-23(25)31-17(5)27/h8,12,15,20-23H,1-2,9-11,13H2,3-7H3/t15-,20+,21+,22+,23-,24-,25?/m0/s1
InChIKey PNDRXCYFFUDPGO-RBEJQBOCSA-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 446.541 g/mol
Solvent CDCl3
Source File Reference UWMZ43114