| SpectraBase Spectrum ID |
G0qPfCyVyki |
| Name |
Stigmast-7-en-3-ol, trifluoroacetate, (3.beta.,24.xi.)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.368465305 u |
| Formula |
C31H49F3O2 |
| InChI |
InChI=1S/C31H49F3O2/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(36-28(35)31(32,33)34)14-16-29(22,5)27(24)15-17-30(25,26)6/h11,19-23,25-27H,7-10,12-18H2,1-6H3 |
| InChIKey |
ASFNVDOBCIPWSZ-UHFFFAOYSA-N |
| Molecular Weight |
510.726 g/mol |
| SMILES |
C[C@]12[C@@]3(C([C@]4([C@@](CC3)(C)[C@@]([C@@](CC[C@](C(C)C)(CC)[H])(C)[H])(CC4)[H])[H])=CCC2C[C@](CC1)(OC(C(F)(F)F)=O)[H])[H] |
