| SpectraBase Spectrum ID |
6kakJrcMymN |
| Name |
5,6-Secocholest-2-en-6-oic acid, 1-oxo-, methyl ester, (10.alpha.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.344695338 u |
| Formula |
C28H46O3 |
| InChI |
InChI=1S/C28H46O3/c1-19(2)10-9-11-20(3)22-13-14-23-21(18-26(30)31-6)24(15-17-27(22,23)4)28(5)16-8-7-12-25(28)29/h7,12,19-24H,8-11,13-18H2,1-6H3 |
| InChIKey |
BYFNYXBXWHLCSW-UHFFFAOYSA-N |
| Molecular Weight |
430.673 g/mol |
| SMILES |
C(C(OC)=O)C1C2C(C)(C(C(CCCC(C)C)C)CC2)CCC1C1(C)C(=O)C=CCC1 |
