| SpectraBase Spectrum ID |
FXg4INxsDNj |
| Name |
CHOLAN-24-OIC ACID, 3,7,12-TRIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)- |
| CAS Registry Number |
81-25-4 |
| 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 |
334 |
| 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 |
splash10-0596-9642000000-4ac4b66272ec4fd655ef |
| Source File Reference |
LMCM-35674-259M |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
3,7,12-TRIHYDROXYCHOLAN-24-OIC ACID
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoic acid |
| Wiley ID |
8_39878 |
