| SpectraBase Spectrum ID |
4FYaPVzJhgA |
| Name |
Ergosta-8,22-dien-3-ol, (3.beta.,5.alpha.,22E,24S)- |
| CAS Registry Number |
85798-13-6 |
| Comments |
Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820866 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C28H46O |
| InChI |
InChI=1S/C28H46O/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/h7-8,18-22,24-25,29H,9-17H2,1-6H3/b8-7+/t19-,20-,21+,22+,24-,25+,27+,28-/m1/s1 |
| InChIKey |
NBGSQCOKVDHDGJ-UZEVOFCWSA-N |
| Molecular Weight |
398.675 g/mol |
| SMILES |
O[C@]1(CC[C@@]2(C3=C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](\C=C\[C@](C(C)C)(C)[H])(C)[H])[H])[H])CC[C@]2(C1)[H])C)[H] |
| SPLASH |
splash10-004i-9421000000-d06bdf75e88faac8ae5d |
| Source of Spectrum |
SD-1992-0-0 |
| Synonyms |
(22E,24S)-24-methyl-5.alpha.-cholesta-8,22-dien-3.beta.-ol
(22E,24S)-24-methyl-5a-cholesta-8,22-dien-3b-ol
(3beta,5alpha,22E,24S)-ergosta-8,22-dien-3-ol
(3S,5S,10S,13R,14R,17R)-17-[(E,2R,5S)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
161384 |
