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Lathosterol

CAT: 0931-T15720-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15720-03Size:50 mg
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CAS Number
80-99-9
Target
Dehydrogenase, Endogenous Metabolite
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
Lathosterol, a molecule akin to cholesterol, serves as a biomarker for the body's total cholesterol synthesis, as indicated by its serum concentration.
Smiles
[H][C@@]12CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC[C@@]1([H])C2=CC[C@@]2([H])C[C@H](O)CC[C@]12C
Molecular Formula
C27H46O
Molecular Weight
386.65
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lathosterol

5alpha-cholest-7-en-3beta-ol is a cholestanoid that is (5alpha)-cholest-7-ene substituted by a beta-hydroxy group at position 3. It has a role as a mouse metabolite and a human metabolite. It is a C27-steroid, a Delta(7)-sterol, a 3beta-sterol and a cholestanoid.

CAS Number80-99-9
PubChem CID65728
IUPAC Name(3S,5S,9R,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H46O
Molecular Weight386.7
XLogP8.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity591
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H46O/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/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3/t19-,20+,21+,23-,24+,25+,26+,27-/m1/s1
InChIKey
IZVFFXVYBHFIHY-SKCNUYALSA-N
Chemical Structure
2D Structure
2D structure of Lathosterol
CAS: 80-99-9
CID: 65728
Formula: C27H46O
MW: 386.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.7
XLogP38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass386.354866087
Monoisotopic Mass386.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes