| SpectraBase Spectrum ID |
K2x3srGxhus |
| Name |
Chol-11-en-24-oic acid, 3-(acetyloxy)-, methyl ester, (3.alpha.,5.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.308309828 u |
| Formula |
C27H42O4 |
| InChI |
InChI=1S/C27H42O4/c1-17(6-11-25(29)30-5)22-9-10-23-21-8-7-19-16-20(31-18(2)28)12-14-26(19,3)24(21)13-15-27(22,23)4/h13,15,17,19-24H,6-12,14,16H2,1-5H3 |
| InChIKey |
SWHWAFFISKDSIL-UHFFFAOYSA-N |
| Molecular Weight |
430.629 g/mol |
| SMILES |
C[C@]12[C@]([C@]3([C@](C=C2)([C@]2(C)[C@](CC3)(C[C@@](CC2)(OC(C)=O)[H])[H])[H])[H])(CC[C@@]1([C@@](CCC(OC)=O)(C)[H])[H])[H] |
