| SpectraBase Spectrum ID |
6UlygCcF5v6 |
| Name |
5,19-Cyclo-5.beta.-cholestan-3.beta.-ol, acetate |
| Alternate Name(s) |
(1S,2S,5R,6R,9S,10S,13S,15S)-5-methyl-6-[(2R)-6-methylheptan-2-yl]pentacyclo[11.4.1.0(1,13).0(2,10).0(5,9)]octadecan-15-yl acetate
C19-modified cholesteryl deriv. |
| CAS Registry Number |
21072-75-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H48O2 |
| InChI |
InChI=1S/C29H48O2/c1-19(2)7-6-8-20(3)24-9-10-25-23-12-15-28-17-22(31-21(4)30)11-16-29(28,18-28)26(23)13-14-27(24,25)5/h19-20,22-26H,6-18H2,1-5H3/t20-,22+,23+,24-,25+,26+,27-,28-,29+/m1/s1 |
| InChIKey |
WTDJEFOIJUVQBF-GEKZLSDOSA-N |
| Molecular Weight |
428.701 g/mol |
| SMILES |
[C@@]123[C@@](C[C@@](OC(=O)C)(CC3)[H])(CC[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C2 |
| SPLASH |
splash10-014i-0169100000-3ff4ab81d82237932e63 |
| Source of Spectrum |
T-68-5505-0 |
| Wiley ID |
1380921 |
