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Isopregnanolone , CAS No.516-55-2
Basic Description
Synonyms | Isopregnanolone|Allopregnanolone|516-55-2|Alloepipregnanolone|Sepranolone|5alpha-Pregnan-3beta-ol-20-one|Allopregnan-3beta-ol-20-one|3beta-Hydroxy-5alpha-pregnan-20-one|Isoallopregnanolone|Epiallopregnanolone|NSC 97078|3beta-hydroxy-5alpha-pregnane-20-one |
Storage Temp | Store at 2-8°C |
Shipped In | Wet ice |
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Names and Identifiers
IUPAC Name | 1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone |
INCHI | InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1 |
InChi Key | AURFZBICLPNKBZ-FZCSVUEKSA-N |
Canonical SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C |
Isomeric SMILES | CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C |
PubChem CID | 92787 |
Molecular Weight | 318.49 |
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Chemical and Physical Properties
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