SpectraBase Spectrum ID |
4UiUC8cg8O |
Name |
Androsta-3,5-dien-3-ol, heptafluorobutanoate |
CAS Registry Number |
60881-91-6 |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C23H27F7O2 |
InChI |
InChI=1S/C23H27F7O2/c1-19-9-3-4-16(19)15-6-5-13-12-14(7-11-20(13,2)17(15)8-10-19)32-18(31)21(24,25)22(26,27)23(28,29)30/h5,12,15-17H,3-4,6-11H2,1-2H3/t15-,16-,17-,19-,20-/m0/s1 |
InChIKey |
IVZGAJDTTUNQPP-TXTPUJOMSA-N |
Molecular Weight |
468.456 g/mol |
SMILES |
C(C(C(OC1=CC2=CC[C@@]3([C@@]([C@]2(CC1)C)(CC[C@@]1(CCC[C@@]31[H])C)[H])[H])=O)(F)F)(C(F)(F)F)(F)F |
SPLASH |
splash10-00kk-0900600000-b416c4cdb1043dc5843e |
Source of Spectrum |
AN-85-343-0 |
Synonyms |
3-Heptafluorobutanoyloxy-3,5-androstadiene
androsta-3,5-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate |
Wiley ID |
1392337 |