| SpectraBase Spectrum ID |
8W3NuICBFI9 |
| Name |
3-Hydroxy-1-methyl-19-norcholesta-1,3,5(10)-triene |
| CAS Registry Number |
17605-79-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H42O |
| InChI |
InChI=1S/C27H42O/c1-17(2)7-6-8-18(3)24-11-12-25-22-10-9-20-16-21(28)15-19(4)26(20)23(22)13-14-27(24,25)5/h15-18,22-25,28H,6-14H2,1-5H3/t18-,22-,23+,24-,25+,27-/m1/s1 |
| InChIKey |
SGOMTCCQDMKJNL-FBMGULRWSA-N |
| Molecular Weight |
382.632 g/mol |
| SMILES |
Oc1cc(c2c(c1)CC[C@]1([C@@]3(CC[C@]([C@@](CCCC(C)C)(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C |
| SPLASH |
splash10-001i-0009000000-17cbd9a8062f4f7bf543 |
| Source of Spectrum |
Y1-38-1259-3 |
| Synonyms |
(17beta)-17-[(1R)-1,5-dimethylhexyl]-1-methylestra-1,3,5(10)-trien-3-ol
(8S,9S,13R,14S,17R)-1,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol |
| Wiley ID |
1527847 |
