| SpectraBase Spectrum ID |
3NbHyN8ZPEW |
| Name |
CHOLAN-24-OIC ACID, 3,6-DIHYDROXY-, (3.ALPHA.,5.BETA.,6.ALPHA.)- |
| CAS Registry Number |
83-49-8 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
392.292659764 u |
| Formula |
C24H40O4 |
| InChI |
InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1 |
| InChIKey |
DGABKXLVXPYZII-SIBKNCMHSA-N |
| Molecular Weight |
392.580 g/mol |
| Nominal Mass |
392 u |
| Number of Peaks |
320 |
| SMILES |
O[C@]1(C[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CC[C@](C[C@@]12[H])(O)[H])C)[H])C)([C@@](CCC(=O)O)(C)[H])[H])[H])[H])[H] |
| SPLASH |
splash10-052g-9521000000-b7669ddd8ac4ddcb71c1 |
| Source File Reference |
LMCM-21742-394L |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
3,6-DIHYDROXYCHOLAN-24-OIC ACID
(4R)-4-[(1S,2R,5R,7R,8S,10S,11S,14R,15R)-5,8-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoic acid |
| Wiley ID |
8_39882 |
