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Name | (3S,8S,9S,10R,13R,14S,17R)-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-Ol |
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Synonyms | S5442_Sigma; Synthechol Ns0 Supplement; 3.Beta.-Hydroxycholest-5-Ene |
Molecular Structure | ![]() |
Molecular Formula | C27H46O |
Molecular Weight | 386.66 |
CAS Registry Number | 80356-14-5 |
SMILES | [C@H]34[C@H]1[C@@H]([C@@]2(C(=CC1)C[C@@H](O)CC2)C)CC[C@@]3([C@@H]([C@@H](CCCC(C)C)C)CC4)C |
InChI | 1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
InChIKey | HVYWMOMLDIMFJA-DPAQBDIFSA-N |
Density | 1.0±0.1g/cm3 (Cal.) |
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1.067 (Expl.) | |
Melting point | 149°C (Expl.) |
Boiling point | 480.6±14.0°C at 760 mmHg (Cal.) |
360°C (Expl.) | |
Flash point | 209.3±12.4°C (Cal.) |
Safety Description | WARNING: Not sold for human treatment, trials or use |
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WARNING: Not for human consumption, may irriate skin & eyes. | |
Apparently of low toxicity. Use normal good housekeepingmeasures. | |
(1) | H.-S. Shieh and C. E. Nordman. Cholesterol hemimethanol solvate, Acta Cryst. (2002). E58, o79-o80 |
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