Basic Information |
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| Product Name: | (3B,7A)-CHOLEST-5-ENE-3,7-DIOL 3-BENZOATE |
| CAS: | 40824-59-7 |
| English Synonyms: | (3B,7A)-CHOLEST-5-ENE-3,7-DIOL 3-BENZOATE ; 7-ALPHA-HYDROXYCHOLEST-5-EN-3-BETA-YL BENZOATE ; 7ALPHA-HYDROXYCHOLESTEROL 3-BENZOATE |
| MDL Number.: | MFCD00201420 |
| H bond acceptor: | 3 |
| H bond donor: | 1 |
| Smile: | CC(C)CCC[C@@H](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)c5ccccc5)C)O)C |
| InChi: | InChI=1S/C34H50O3/c1-22(2)10-9-11-23(3)27-14-15-28-31-29(17-19-34(27,28)5)33(4)18-16-26(20-25(33)21-30(31)35)37-32(36)24-12-7-6-8-13-24/h6-8,12-13,21-23,26-31,35H,9-11,14-20H2,1-5H3/t23-,26+,27-,28+,29+,30-,31+,33+,34-/m1/s1 |
| InChiKey: | InChIKey=YAQOZGBTTMUPRW-KHCFEYDLSA-N |
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