| SpectraBase Spectrum ID |
ILgdnABrlXZ |
| Name |
3.ALPHA.,7.ALPHA.,12.ALPHA.-TRIHYDROXY-5.BETA.-CHOLANIC ACID |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
408.287574383 u |
| 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)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
| InChIKey |
BHQCQFFYRZLCQQ-OELDTZBJSA-N |
| Molecular Weight |
408.579 g/mol |
| Nominal Mass |
408 u |
| Number of Peaks |
192 |
| SMILES |
O[C@]1([C@]2([C@@]3(CC[C@@]([C@]3([C@](C[C@@]2([C@]2(CC[C@](C[C@]2(C1)[H])(O)[H])C)[H])(O)[H])C)([C@@](CCC(=O)O)(C)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0fdo-9643000000-b02b7abb2dca93d982ee |
| Source File Reference |
LMCM-78078-361U |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,7,12-TRIHYDROXYCHOLAN-24-OIC ACID
(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| Wiley ID |
4_267 |
