4,6-CHOLESTADIEN-3-ONE

CAS No.
566-93-8
CCD No.
CCD00009482
Formula
C27 H42 O
MolWeight
382.628

Basic Information

Product Name: 4,6-CHOLESTADIEN-3-ONE
CAS: 566-93-8
English Synonyms: 3-KETO-4,6-CHOLESTADIENE ; CHOLESTA-4,6-DIEN-3-ONE ; 6-DEHYDROCHOLESTENONE ; 4,6-CHOLESTADIEN-3-ONE
MDL Number.: MFCD00009831
H bond acceptor: 1
H bond donor: 0
Smile: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)C
InChi: InChI=1S/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1
InChiKey: InChIKey=XIWMRKFKSRYSIJ-GYKMGIIDSA-N

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