| SpectraBase Spectrum ID |
GbeoBoSqD9X |
| Name |
3.BETA.,5.ALPHA.-DIHYDROXY-CHOLESTANE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
404.365430784 u |
| Formula |
C27H48O2 |
| InChI |
InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1 |
| InChIKey |
YGJKELZDRWFHOR-POBUXQGNSA-N |
| Molecular Weight |
404.679 g/mol |
| Nominal Mass |
404 u |
| Number of Peaks |
86 |
| SMILES |
O[C@@]12CC[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] |
| SPLASH |
splash10-0019-9325000000-663103d372564b3d52cc |
| Source File Reference |
LMCM-59340-626K |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLESTANE-3,5-DIOL
(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-((R)-6-methylheptan-2-yl)hexadecahydro-1H-cyclopenta[a]phenanthrene-3,5-diol |
| Wiley ID |
4_163 |
