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18R,20-DIHYDROXY-2,10,19(21)-CLADOCORATRIEN-22(20)-OLIDE;MAJOR-ISOMER
SpectraBase Compound ID DGDneuIFJip
InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h9,14,17,19,21,23,26,28H,1,6-8,10-13,15H2,2-5H3/t17-,19+,21-,23?,24+,25+/m1/s1
InChIKey BSCXBLSTGMUDKH-GLHFMLLVSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5iXV372ozEs
Name CLADOCORAN-B
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-16(2)8-6-12-24(4)13-7-9-20-19(24)11-10-17(3)25(20,5)15-21(26)18-14-22(27)29-23(18)28/h9,14,17,19,21,23,26,28H,1,6-8,10-13,15H2,2-5H3/t17-,19+,21-,23?,24+,25+/m1/s1
InChIKey BSCXBLSTGMUDKH-GLHFMLLVSA-N
Literature Reference Author A.FONTANA,M.L.CIAVATTA,G.CIMINO
Literature Reference Citation J.ORG.CHEM.,63,2845(1998)
Literature Reference DOI 10.1021/jo971586j
Molecular Weight 402.574 g/mol
Sample ID 37075
Solvent CDCl3