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7-Bromo-3-O-acetyl Pregnenolone , CAS No.114417-65-1
Basic Description
Synonyms | [(3R,8S,9S,10R,13S,14S,17S)-17-acetyl-7-bromo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | 7-Bromo-3-O-acetyl Pregnenolone | DTXSID70747213 |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | [(3R,8S,9S,10R,13S,14S,17S)-17-acetyl-7-bromo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
INCHI | InChI=1S/C23H33BrO3/c1-13(25)17-5-6-18-21-19(8-10-23(17,18)4)22(3)9-7-16(27-14(2)26)11-15(22)12-20(21)24/h12,16-21H,5-11H2,1-4H3/t16-,17-,18+,19+,20?,21+,22+,23-/m1/s1 |
InChi Key | XBASGDGJPXJCNL-QONKENNESA-N |
Canonical SMILES | CC(=O)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC(=O)C)C)Br)C |
Isomeric SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)Br)C |
PubChem CID | 71314211 |
Molecular Weight | 437.41 |
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