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CARDIVIN-B;2,10-DIHYDROXY-5-OXO-6-[(2-METHYLBUTYL)-OXY]-9-(ISOBUTYLOXY)-GERMACRAN-8,12-OLIDE
SpectraBase Compound ID 3mDD1lZYcms
InChI InChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24+/m1/s1
InChIKey PQWUSRCSCCYNSK-PRRKEYNKSA-N
Mol Weight 468.5 g/mol
Molecular Formula C24H36O9
Exact Mass 468.235933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6RIyhRQVMlb
Name CARDIVIN-B;2,10-DIHYDROXY-5-OXO-6-[(2-METHYLBUTYL)-OXY]-9-(ISOBUTYLOXY)-GERMACRAN-8,12-OLIDE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H36O9
InChI InChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24+/m1/s1
InChIKey PQWUSRCSCCYNSK-PRRKEYNKSA-N
Literature Reference Author D.K.KIM,N.I.BAEK,S.U.CHOI,C.O.LEE,K.R.LEE,O.P.ZEE
Literature Reference Citation J.NAT.PROD.,60,1199(1997)
Literature Reference DOI 10.1021/np970157d
Molecular Weight 468.544 g/mol
Solvent CDCl3
Source File Reference WANG578