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MENELLSTEROID-D;1-BETA,3-BETA,5-ALPHA-TRIHYDROXYCHOLESTAN-6-ONE
SpectraBase Compound ID LfpSyH9Iz2K
InChI InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)20-9-10-21-19-14-24(30)27(31)15-18(28)13-23(29)26(27,5)22(19)11-12-25(20,21)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,23-,25-,26+,27+/m1/s1
InChIKey SJBPBUGDAAYBRC-SFRYNZQVSA-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 Ik1obYyS6ZF
Name MENELLSTEROID-D;1-BETA,3-BETA,5-ALPHA-TRIHYDROXYCHOLESTAN-6-ONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H46O4
InChI InChI=1S/C27H46O4/c1-16(2)7-6-8-17(3)20-9-10-21-19-14-24(30)27(31)15-18(28)13-23(29)26(27,5)22(19)11-12-25(20,21)4/h16-23,28-29,31H,6-15H2,1-5H3/t17-,18+,19+,20-,21+,22+,23-,25-,26+,27+/m1/s1
InChIKey SJBPBUGDAAYBRC-SFRYNZQVSA-N
Literature Reference Author X.Y.CHAI,J.F.SUN,L.Y.TANG,X.W.YANG,Y.Q.LI,H.HUANG,X.F.ZHAO,B .YANG,Y.LIU
Literature Reference Citation CHEM.PHARM.BULL.,58,1391(2010)
Literature Reference DOI 10.1248/cpb.58.1391
Molecular Weight 434.660 g/mol
Source File Reference UWBT3942