Demethyldihydrolanosterol

CAT: 0572-TRC-D230905-1MGSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-D230905-1MGSize:1 mg

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CAS Number

5241-24-7

Synonyms

(3beta,5alpha)-4,4-Dimethylcholest-8-en-3-ol; 4,4-Dimethyl-5alpha-cholest-8-en-3beta-ol; 4,4-Dimethyl-5alpha-cholest-8(9)-en-3beta-ol;

Hazard Statement

Not a hazardous substance according to GHS.

Smiles

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC3

Molecular Formula

C29H50O

Molecular Weight

414.71

Shipping Conditions

Room Temperature

Storage Conditions

+4°C

Chemical Information

4,4-Dimethyl-5alpha-cholest-8-en-3beta-ol

4,4-dimethyl-5alpha-cholest-8-en-3beta-ol is a cholestanoid that is 5alpha-cholesta-8-en-3beta-ol bearing two additional methyl substituents at position 4. It has a role as a mouse metabolite. It is a tetracyclic triterpenoid, a 3beta-sterol and a cholestanoid.

CAS Number	5241-24-7
PubChem CID	12070223
IUPAC Name	(3S,5R,10S,13R,14R,17R)-4,4,10,13-tetramethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Molecular Formula	C29H50O
Molecular Weight	414.7
XLogP	8.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	672

SMILES

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C

InChI

InChI=1S/C29H50O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h19-20,22-23,25-26,30H,8-18H2,1-7H3/t20-,22-,23+,25+,26+,28-,29-/m1/s1

InChIKey

FYHRVINOXYETMN-QGBOJXOESA-N

Chemical Structure

2D Structure

CAS: 5241-24-7

CID: 12070223

Formula: C29H50O

MW: 414.7

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	414.7
XLogP3	8.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	414.386166214
Monoisotopic Mass	414.386166214
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	672
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
163639	Demethyldihydrolanosterol discontinued

Demethyldihydrolanosterol

Chemical Information

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