| SpectraBase Spectrum ID |
4VD0bY00eb2 |
| Name |
Estra-1,3,5(10)-trien-3-ol, heptafluorobutanoate |
| CAS Registry Number |
60881-87-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H23F7O2 |
| InChI |
InChI=1S/C22H23F7O2/c1-19-9-2-3-17(19)16-6-4-12-11-13(5-7-14(12)15(16)8-10-19)31-18(30)20(23,24)21(25,26)22(27,28)29/h5,7,11,15-17H,2-4,6,8-10H2,1H3/t15-,16-,17+,19+/m1/s1 |
| InChIKey |
KNNOXBSSLDKDAA-VXNCWWDNSA-N |
| Molecular Weight |
452.413 g/mol |
| SMILES |
C(C(C(Oc1cc2CC[C@@]3([C@@](c2cc1)(CC[C@@]1(CCC[C@@]31[H])C)[H])[H])=O)(F)F)(C(F)(F)F)(F)F |
| SPLASH |
splash10-0zfr-0213900000-5df7d083dc508b0789c6 |
| Source of Spectrum |
AN-85-341-0 |
| Synonyms |
3-Heptafluorobutanoyloxy 1,3,5-estradiene
estra-1,3,5(10)-trien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Wiley ID |
1388187 |
