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STYPODIOL;(3-BETA,5-ALPHA,13-ALPHA)-14,17-EPOXY-4,4,8-TRIMETHYL-16,24-CYCLO-13,17-SECOCHOLA-16,20(22),23-TRIENE-3,23-DIOL

View entire compound with spectra: 1 NMR, and 1 MS (GC)

STYPODIOL;(3-BETA,5-ALPHA,13-ALPHA)-14,17-EPOXY-4,4,8-TRIMETHYL-16,24-CYCLO-13,17-SECOCHOLA-16,20(22),23-TRIENE-3,23-DIOL
SpectraBase Compound ID EWavAqyqfO
InChI InChI=1S/C27H40O3/c1-16-13-19(28)14-18-15-27(30-23(16)18)17(2)7-8-21-25(5)11-10-22(29)24(3,4)20(25)9-12-26(21,27)6/h13-14,17,20-22,28-29H,7-12,15H2,1-6H3/t17-,20-,21+,22-,25-,26+,27-/m0/s1
InChIKey JTFQPSRKDMDRKT-LYIAKFBWSA-N
Mol Weight 412.6 g/mol
Molecular Formula C27H40O3
Exact Mass 412.297745 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Yu5dl5JPJ9
Name STYPODIOL;(3-BETA,5-ALPHA,13-ALPHA)-14,17-EPOXY-4,4,8-TRIMETHYL-16,24-CYCLO-13,17-SECOCHOLA-16,20(22),23-TRIENE-3,23-DIOL
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H40O3
InChI InChI=1S/C27H40O3/c1-16-13-19(28)14-18-15-27(30-23(16)18)17(2)7-8-21-25(5)11-10-22(29)24(3,4)20(25)9-12-26(21,27)6/h13-14,17,20-22,28-29H,7-12,15H2,1-6H3/t17-,20-,21+,22-,25-,26+,27-/m0/s1
InChIKey JTFQPSRKDMDRKT-LYIAKFBWSA-N
Literature Reference Author A.ABAD,C.AGULLO,M.ARNO,A.C.CUNAT,B.MESEGUER,R.J.ZARAGOZA
Literature Reference Citation J.ORG.CHEM.,63,5100(1998)
Literature Reference DOI 10.1021/jo980311g
Molecular Weight 412.613 g/mol
Sample ID 28534
Solvent CDCl3