| SpectraBase Spectrum ID |
Kqtes42avAS |
| Name |
Cholest-5-ene-3,7-diol, 7-octadecanoate, (3.beta.,7.alpha.)- |
| CAS Registry Number |
58870-28-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C45H80O3 |
| InChI |
InChI=1S/C45H80O3/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-42(47)48-41-33-36-32-37(46)28-30-44(36,5)40-29-31-45(6)38(26-27-39(45)43(40)41)35(4)24-22-23-34(2)3/h33-35,37-41,43,46H,7-32H2,1-6H3/t35-,37+,38-,39+,40+,41-,43+,44+,45-/m1/s1 |
| InChIKey |
ONOVYCPRGBPPPE-LQLPOJMZSA-N |
| Molecular Weight |
669.132 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@](C=C2C1)(OC(=O)CCCCCCCCCCCCCCCCC)[H])[H])(CC[C@@]4([C@@](CCCC(C)C)(C)[H])[H])[H])C)[H])C)[H] |
| SPLASH |
splash10-00di-9311000000-295efc792606e4b01299 |
| Source of Spectrum |
W5-38216-27320-27320 |
| Synonyms |
(3beta,7alpha)-3-hydroxycholest-5-en-7-yl stearate |
| Wiley ID |
1413878 |
