SpectraBase Spectrum ID |
KFJf7BKfifd |
Name |
24-BETA-METHYL-5.ALPHA.-CHOLEST-22-ENE-3.ALPHA.-OL |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
400.370516165 u |
Formula |
C28H48O |
InChI |
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,18-26,29H,9-17H2,1-6H3/b8-7-/t19-,20-,21+,22-,23+,24-,25+,26+,27+,28-/m1/s1 |
InChIKey |
PRKPDIRLXGMLSU-KDYUJWJISA-N |
Molecular Weight |
400.691 g/mol |
Nominal Mass |
400 u |
Number of Peaks |
103 |
SMILES |
O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])([C@@](\C=C/[C@](C(C)C)(C)[H])(C)[H])[H])C)[H])C)[H] |
SPLASH |
splash10-0pb9-9541100000-17e9701ba39d2574ef0f |
Source File Reference |
LMCM-52582-083Q |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
ERGOST-22-EN-3-OL
(3R,5S,8R,9S,10S,13R,14S,17R)-17-((2R,5S,Z)-5,6-dimethylhept-3-en-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
Wiley ID |
4_498 |