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Basic Information |
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Product Name: | ETIENIC ACID METHYL ESTER |
CAS: | 7254-03-7 |
English Synonyms: | 5-ANDROSTEN-3BETA-OL-17BETA-CARBOXYLIC ACID METHYL ESTER ; METHYL (3S,8S,9S,10R,13S,14S,17S)-3-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,11,12,14,15,16,17-DODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-17-CARBOXYLATE ; (3S,8S,9S,10R,13S,14S,17S)-3-HYDROXY-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-17-CARBOXYLIC ACID METHYL ESTER ; 5-ANDROSTEN-17BETA-CARBOXYLIC ACID-3BETA-OL METHYL ESTER ; METHYL 3[BETA]-HYDROXYANDROST-5-ENE-17[BETA]CARBOXYLATE ; ETIENIC ACID METHYL ESTER ; METHYL-3BETA-HYDROXY-5-ETIOCHOLENATE |
MDL Number.: | MFCD00136096 |
H bond acceptor: | 3 |
H bond donor: | 1 |
Smile: | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CC=C4[C@@]3(CC[C@@H](C4)O)C |
InChi: | InChI=1S/C21H32O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h4,14-18,22H,5-12H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1 |
InChiKey: | InChIKey=WGYHVQYXJNPQAA-WPWXJNKXSA-N |
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