| SpectraBase Spectrum ID |
2vwt55Sjx7f |
| Name |
CHOLAN-24-OIC ACID, 3,12-DIHYDROXY-, (3.ALPHA.,5.BETA.,12.ALPHA.)- |
| CAS Registry Number |
83-44-3 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 |
| InChIKey |
KXGVEGMKQFWNSR-LLQZFEROSA-N |
| Molecular Weight |
392.580 g/mol |
| Nominal Mass |
392 u |
| Number of Peaks |
324 |
| SMILES |
OC(CC[C@]([C@@]1([C@]2([C@](C[C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])(O)[H])C)[H])(C)[H])=O |
| SPLASH |
splash10-0a4l-9631000000-6010b7c62211010ce80e |
| Source File Reference |
LMCM-26591-611X |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
3,12-DIHYDROXYCHOLAN-24-OIC ACID
(4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R,16S)-5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoic acid |
| Wiley ID |
8_39880 |
