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METHYL-3-ALPHA,7-ALPHA-ACETYLOXY-12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
SpectraBase Compound ID 8foX0mam76p
InChI InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24?,25+,27+,28+,29-/m1/s1
InChIKey VKXXPYARELKQOY-QWBKPIBZSA-N
Mol Weight 506.7 g/mol
Molecular Formula C29H46O7
Exact Mass 506.324354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JiCzWFmdRNO
Name METHYL-3-ALPHA,7-ALPHA-ACETYLOXY-12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H46O7
InChI InChI=1S/C29H46O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-25,27,32H,7-15H2,1-6H3/t16-,19+,20-,21-,22+,23+,24?,25+,27+,28+,29-/m1/s1
InChIKey VKXXPYARELKQOY-QWBKPIBZSA-N
Literature Reference Author K.LAPPALAINEN,E.KOLEHMAINEN,M.KAARTINEN,R.KAUPPINEN,R.SEPPAE LAE,V.VATANEN
Literature Reference Citation MAGN.RES.CHEM.,32,786(1994)
Literature Reference DOI 10.1002/mrc.1260321213
Molecular Weight 506.680 g/mol
Solvent CDCl3
Source File Reference UWGE155