Lanosterol (Isocholesterol) - Lanosterol 60%

CAT: 0926-FL71051-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FL71051-01Size:5 g

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CAS Number

79-63-0

Synonyms

8,24-Lanostadiene-3β-ol; Isocholesterol;3β-Hydroxy-8,24-lanostadiene

MDL Number

MFCD00021108

Smiles

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

Molecular Formula

C30H50O

Molecular Weight

426.72 g/mol

Controlled

Chemical Information

Lanosterol

Lanosterol is a tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived. It has a role as a mouse metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, a bacterial metabolite and a human metabolite. It is a 14alpha-methyl steroid, a tetracyclic triterpenoid and a 3beta-sterol. It derives from a hydride of a lanostane.

CAS Number	79-63-0
PubChem CID	246983
IUPAC Name	(3S,5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular Formula	C30H50O
Molecular Weight	426.7
XLogP	8.9
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	31
Formal Charge	0
Complexity	767

SMILES

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

InChI

InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22-,25+,26+,28-,29-,30+/m1/s1

InChIKey

CAHGCLMLTWQZNJ-BQNIITSRSA-N

Chemical Structure

2D Structure

CAS: 79-63-0

CID: 246983

Formula: C30H50O

MW: 426.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	426.7
XLogP3	8.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	426.386166214
Monoisotopic Mass	426.386166214
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	767
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

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Lanosterol (Isocholesterol) - Lanosterol 60%

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