| SpectraBase Spectrum ID |
7MOTReMANef |
| Name |
3.BETA.,5.ALPHA.,6.BETA.-TRIHYDROXY-CHOLESTANE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
420.360345403 u |
| Formula |
C27H48O3 |
| InChI |
InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1 |
| InChIKey |
YMMFNKXZULYSOQ-RUXQDQFYSA-N |
| Molecular Weight |
420.678 g/mol |
| Nominal Mass |
420 u |
| Number of Peaks |
142 |
| SMILES |
O[C@@]12[C@@](C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@@]3([C@]1(CC[C@@](C2)(O)[H])C)[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])(O)[H] |
| SPLASH |
splash10-0zgl-9632200000-5b335ca82676437aa5ac |
| Source File Reference |
LMCM-93577-256B |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLESTANE-3,5,6-TRIOL
(3S,5R,6R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5,6-triol |
| Wiley ID |
4_79 |
