5α -Cholestan-3β -ol 100mg

CAT: 0628-A19653-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0628-A19653-100Size:100 mg

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CAS Number

80-97-7

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 Number	80-97-7
PubChem CID	6665
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 Formula	C27H48O
Molecular Weight	388.7
XLogP	9.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	540

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

CAS: 80-97-7

CID: 6665

Formula: C27H48O

MW: 388.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	388.7
XLogP3	9.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	388.370516150
Monoisotopic Mass	388.370516150
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	540
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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5&alpha; -Cholestan-3&beta; -ol 100mg

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5α -Cholestan-3β -ol 100mg