| SpectraBase Spectrum ID |
1lfV9HAF50e |
| Name |
Chol-9(11)-en-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.287574383 u |
| Formula |
C27H40O5 |
| InChI |
InChI=1S/C27H40O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h15-16,18-22H,6-14H2,1-5H3 |
| InChIKey |
XRLBQELEYBVDHJ-UHFFFAOYSA-N |
| Molecular Weight |
444.612 g/mol |
| SMILES |
C[C@]12[C@]([C@]3(C(=CC2=O)[C@]2(C)[C@](CC3)(C[C@@](CC2)(OC(C)=O)[H])[H])[H])(CC[C@@]1([C@@](CCC(OC)=O)(C)[H])[H])[H] |
