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CASEABALANSIN_A;RE-(2-S,4-S,5-R,8-S,9-S,10-R,18-R,19-S)-2,19:18,19-DIEPOXYCLERODA-13-(16),14-DIEN-18-OL
SpectraBase Compound ID Egns67BWu8X
InChI InChI=1S/C20H30O3/c1-5-12(2)6-8-19(4)13(3)7-9-20-15-10-14(11-16(19)20)22-18(20)23-17(15)21/h5,13-18,21H,1-2,6-11H2,3-4H3/t13-,14-,15-,16+,17+,18+,19-,20+/m0/s1
InChIKey BYPLRRJANIEQNK-HKSVFORWSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9vnWqvmf1uX
Name CASEABALANSIN_A;RE-(2-S,4-S,5-R,8-S,9-S,10-R,18-R,19-S)-2,19:18,19-DIEPOXYCLERODA-13-(16),14-DIEN-18-OL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-5-12(2)6-8-19(4)13(3)7-9-20-15-10-14(11-16(19)20)22-18(20)23-17(15)21/h5,13-18,21H,1-2,6-11H2,3-4H3/t13-,14-,15-,16+,17+,18+,19-,20+/m0/s1
InChIKey BYPLRRJANIEQNK-HKSVFORWSA-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 318.456 g/mol
Solvent CD3OD
Source File Reference UWMZ43104