| SpectraBase Spectrum ID |
DwDCy47tao2 |
| Name |
3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIHYDROXY-5.BETA.-CHOLANIC ACID |
| Alternate Name(s) |
3,7,12-TRIHYDROXYCHOLAN-24-OIC ACID |
| Copyright |
Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula |
C24H40O5 |
| InChI |
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29) |
| InChIKey |
BHQCQFFYRZLCQQ-UHFFFAOYSA-N |
| Nominal Mass |
408 u |
| Owner |
Database Compilation (C) 2005 Wiley & Sons, Inc. |
| SMILES |
C12(C(CCC2C(C)CCC(O)=O)C2C(CC1O)C1(C(CC(O)CC1)CC2O)C)C |
| SPLASH |
splash10-0fdo-9643000000-b02b7abb2dca93d982ee |
| Source File Reference |
LMCM-78078-361U |
| Source of Spectrum |
Copyright (C) Prof. Spiteller, University Bayreuth, Germany |
