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3-BETA,11-ALPHA-DIHYDROXY-5-BETA,6-BETA-EPOXY-9,11-SECOCHOLESTAN-9-ONE
SpectraBase Compound ID LvRoB5UBjY3
InChI InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23-27(31-23)16-19(29)11-12-26(27,5)24(20)30/h17-23,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,25-,26-,27-/m1/s1
InChIKey QKTFOALELBKRRS-YBHPAICNSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O4
Exact Mass 434.33961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz8e21HYCeD
Name 3-BETA,11-ALPHA-DIHYDROXY-5-BETA,6-BETA-EPOXY-9,11-SECOCHOLESTAN-9-ONE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-17(2)7-6-8-18(3)21-9-10-22(25(21,4)13-14-28)20-15-23-27(31-23)16-19(29)11-12-26(27,5)24(20)30/h17-23,28-29H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23-,25-,26-,27-/m1/s1
InChIKey QKTFOALELBKRRS-YBHPAICNSA-N
Literature Reference Author C.Y.DUH,C.H.LI,S.K.WANG,C.F.DAI
Literature Reference Citation J.NAT.PROD.,69,1188(2006)
Literature Reference DOI 10.1021/np0505465
Molecular Weight 434.660 g/mol
Solvent CDCl3
Source File Reference UWMZ15580