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7β-Hydroxy cholesterol 3β-acetate , CAS No.17974-77-5
Basic Description
Synonyms | 17974-77-5 | (3alpha)-7-Hydroxycholest-5-en-3-yl acetate | [(3R,7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | 7beta-Hydroxy cholesterol 3bet |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | [(3R,7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate |
INCHI | InChI=1S/C29H48O3/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(32-20(4)30)16-21(28)17-26(27)31/h17-19,22-27,31H,7-16H2,1-6H3/t19-,22-,23-,24+,25+,26+,27+,28+,29-/m1/s1 |
InChi Key | QRSNTERZEKNKIZ-UAQNQREASA-N |
Canonical SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3(CCC(C4)OC(=O)C)C)O)C |
Isomeric SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@H](C4)OC(=O)C)C)O)C |
PubChem CID | 71748842 |
Molecular Weight | 444.69 |
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