(20S)-5β-Pregnane-3α,20-diol bis(heptafluorobutyrate)


CAS No. : 18072-44-1

(20S)-5β-Pregnane-3α,20-diol bis(heptafluorobutyrate),18072-44-1
Product Details
Cat No:M075173
Synonyms:(20S)-5β-Pregnane-3α,20-diol bis(heptafluorobutyrate)
Molecular Formula:C29H34F14O4
Molecular Weight:712.565
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Cat No:M075173
Cas No:18072-44-1
Product-Name:(20S)-5β-Pregnane-3α,20-diol bis(heptafluorobutyrate)
IUPAC Name:[(3R,5R,8R,9S,10S,13S,14S,17S)-17-[(1S)-1-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethyl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
InChI:InChI=1S/C29H34F14O4/c1-13(46-20(44)24(30,31)26(34,35)28(38,39)40)17-6-7-18-16-5-4-14-12-15(8-10-22(14,2)19(16)9-11-23(17,18)3)47-21(45)25(32,33)27(36,37)29(41,42)43/h13-19H,4-12H2,1-3H3/t13-,14+,15+,16-,17+,18-,19-,22-,23+/m0/s1
InChIKey:KPANXDBYARJMLI-PNCVKBPXSA-N
SMILES:CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
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