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Cholestanol

CAT: 1596-AR-C07336-02Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C07336-02Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80-97-7
Synonyms
(3S,5S,8R,9S,10S,13R,14S,17R) -10,13-dimethyl-17- ((R) -6-methylheptan-2-yl) hexadecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Formula
C27H48O
Molecular Weight
388.68
API Name
Cholesterol

Chemical Information

Dihydrocholesterol

(5alpha)-cholestan-3beta-ol is a cholestanoid that is (5alpha)-cholestane substituted by a beta-hydroxy group at position 3. It is a 3beta-hydroxy steroid and a cholestanoid. It derives from a hydride of a 5alpha-cholestane.

CAS Number80-97-7
PubChem CID6665
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H48O
Molecular Weight388.7
XLogP9.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity540
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19-,20+,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey
QYIXCDOBOSTCEI-QCYZZNICSA-N
Chemical Structure
2D Structure
2D structure of Dihydrocholesterol
CAS: 80-97-7
CID: 6665
Formula: C27H48O
MW: 388.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.7
XLogP39.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass388.370516150
Monoisotopic Mass388.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity540
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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MBS394991-01Cholestanol
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