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(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
[CAS# 80356-14-5]

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Identification
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
Synonyms S5442_Sigma; Synthechol Ns0 Supplement; 3.Beta.-Hydroxycholest-5-Ene
Molecular Structure CAS#: 80356-14-5, (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
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
Properties
Density 1.0±0.1g/cm3 (Cal.)
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 Data
Safety Description WARNING: Not sold for human treatment, trials or use
WARNING: Not for human consumption, may irriate skin & eyes.
Apparently of low toxicity. Use normal good housekeepingmeasures.
References
(1) H.-S. Shieh and C. E. Nordman. Cholesterol hemimethanol solvate, Acta Cryst. (2002). E58, o79-o80 
Market Analysis Reports
List of Reports Available for (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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