Basic Information |
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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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