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Cholesterol Ethyl Carbonate - 94%, high purity , CAS No.23836-43-3
Basic Description
Specifications & Purity | ≥94% |
Shipped In | Normal |
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Names and Identifiers
IUPAC 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-yl] ethyl carbonate |
INCHI | InChI=1S/C30H50O3/c1-7-32-28(31)33-23-15-17-29(5)22(19-23)11-12-24-26-14-13-25(21(4)10-8-9-20(2)3)30(26,6)18-16-27(24)29/h11,20-21,23-27H,7-10,12-19H2,1-6H3/t21-,23+,24+,25-,26+,27+,29+,30-/m1/s1 |
InChi Key | VARVSEQINPNKDM-NXUCFJMCSA-N |
Canonical SMILES | CCOC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C |
Isomeric SMILES | CCOC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C |
PubChem CID | 9981611 |
Molecular Weight | 458.73 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 458.700 g/mol |
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XLogP3 | 9.900 |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 9 |
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Exact Mass | 458.376 Da |
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Monoisotopic Mass | 458.376 Da |
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Topological Polar Surface Area | 35.500 Ų |
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Heavy Atom Count | 33 |
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Formal Charge | 0 |
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Complexity | 726.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 8 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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