For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3,17di(heptafluorobutyryl)-17.beta.-nortestosterone

View entire compound with spectra: 2 MS (GC)

3,17di(heptafluorobutyryl)-17.beta.-nortestosterone
SpectraBase Compound ID GFJSwV9uKhh
InChI InChI=1S/C26H24F14O4/c1-20-9-8-14-13-5-3-12(43-18(41)21(27,28)23(31,32)25(35,36)37)10-11(13)2-4-15(14)16(20)6-7-17(20)44-19(42)22(29,30)24(33,34)26(38,39)40/h3,10,13-17H,2,4-9H2,1H3/t13-,14?,15?,16?,17-,20-/m0/s1
InChIKey UYURSXHSSMJVOB-XNJRUQNFSA-N
Mol Weight 666.45 g/mol
Molecular Formula C26H24F14O4
Exact Mass 666.145104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ITk2I5bkTBF
Name 3,17di(heptafluorobutyryl)-17.beta.-nortestosterone
Alternate Name(s) nortestosterone-di(heptafluorobutyrate) (17beta)-17-[(2,2,3,3,4,4,4-heptafluorobutanoyl)oxy]estra-2,4-dien-3-yl 2,2,3,3,4,4,4-heptafluorobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24F14O4
InChI InChI=1S/C26H24F14O4/c1-20-9-8-14-13-5-3-12(43-18(41)21(27,28)23(31,32)25(35,36)37)10-11(13)2-4-15(14)16(20)6-7-17(20)44-19(42)22(29,30)24(33,34)26(38,39)40/h3,10,13-17H,2,4-9H2,1H3/t13-,14?,15?,16?,17-,20-/m0/s1
InChIKey UYURSXHSSMJVOB-XNJRUQNFSA-N
Molecular Weight 666.452 g/mol
SMILES C(C(C(OC=1C=C2CCC3C4CC[C@@]([C@]4(CCC3[C@]2(CC1)[H])C)(OC(C(C(C(F)(F)F)(F)F)(F)F)=O)[H])=O)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-067l-4920000000-2728d73296381602de07
Source of Spectrum JC-489-101-4
Wiley ID 1413759