| SpectraBase Spectrum ID |
3tKe48orFK4 |
| Name |
CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.)- |
| CAS Registry Number |
474-25-9 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey |
RUDATBOHQWOJDD-BSWAIDMHSA-N |
| Molecular Weight |
392.580 g/mol |
| Nominal Mass |
392 u |
| Number of Peaks |
333 |
| SMILES |
O[C@]1([C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CC[C@](C[C@]2(C1)[H])(O)[H])C)[H])C)([C@@](CCC(=O)O)(C)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-0a4l-9732000000-ecac91307d96d5aa2378 |
| Source File Reference |
LMCM-11851-214P |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
3,7-DIHYDROXYCHOLAN-24-OIC ACID
(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoic acid |
| Wiley ID |
8_39881 |
