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REL-1-BETA,7-DIHYDROXY-2-BETA-H-1,2,3,4-TETRAHYDRO-14.8',2(O).7'-DICADALENOL
SpectraBase Compound ID 9aHeYCiPgwx
InChI InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1
InChIKey DDVIVMMKNAZNJE-FXBCZQQTSA-N
Mol Weight 444.6 g/mol
Molecular Formula C30H36O3
Exact Mass 444.266445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERTDp0g4ArE
Name REL-1-BETA,7-DIHYDROXY-2-BETA-H-1,2,3,4-TETRAHYDRO-14.8',2(O).7'-DICADALENOL
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H36O3
InChI InChI=1S/C30H36O3/c1-15(2)20-9-8-17(5)28-23(20)11-19(7)29-24(28)14-30(32)25-13-26(31)18(6)10-22(25)21(16(3)4)12-27(30)33-29/h8-11,13,15-16,21,27,31-32H,12,14H2,1-7H3/t21-,27+,30+/m0/s1
InChIKey DDVIVMMKNAZNJE-FXBCZQQTSA-N
Literature Reference Author G.DELGADO,M.D.S.OLIVARES,M.I.CHAVEZ,T.RAMIREZ-APAN,E.LINARES ,R.BYE,F.J.ESPINOSA-
Literature Reference Citation J.NAT.PROD.,64,861(2001)
Literature Reference DOI 10.1021/np0005107
Molecular Weight 444.614 g/mol
Solvent CDCl3
Source File Reference UWSI1327