| SpectraBase Spectrum ID |
7JUyod7SJQQ |
| Name |
3.BETA.,22(R)-DIHYDROXY-CHOLEST-5-ENE |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.349780719 u |
| Formula |
C27H46O2 |
| InChI |
InChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25+,26-,27+/m0/s1 |
| InChIKey |
RZPAXNJLEKLXNO-GFKLAVDKSA-N |
| Molecular Weight |
402.663 g/mol |
| Nominal Mass |
402 u |
| Number of Peaks |
139 |
| SMILES |
O[C@@]([C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])C)[H])C)[H])(C)[H])(CCC(C)C)[H] |
| SPLASH |
splash10-0pc3-9621100000-59ef226a8baa08a1c5b4 |
| Source File Reference |
LMCM-20031-732V |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
CHOLEST-5-ENE-3,22-DIOL
(3S,8S,9S,10R,13S,14S,17R)-17-((2S,3R)-3-hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
4_104 |
