| SpectraBase Spectrum ID |
69zaEwBaemK |
| Name |
3.beta.,17.beta.,Dihydroxy-5.alpha.-pregn-6-ene-21-carboxylic acid .gamma.-lactone tms |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.274671680 u |
| Formula |
C25H40O3Si |
| InChI |
InChI=1S/C25H40O3Si/c1-23-12-8-18(28-29(3,4)5)16-17(23)6-7-19-20(23)9-13-24(2)21(19)10-14-25(24)15-11-22(26)27-25/h6-7,17-21H,8-16H2,1-5H3/t17-,18-,19?,20?,21?,23?,24?,25+/m0/s1 |
| InChIKey |
YIEKYAKFCTWHFK-KEPPUSKGSA-N |
| Molecular Weight |
416.677 g/mol |
| SMILES |
C12([C@@]3(OC(=O)CC3)CCC2C2C=C[C@@]3(C(C2CC1)(CC[C@](O[Si](C)(C)C)(C3)[H])C)[H])C |
