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7,22,25-Stigmastatrienol

CAT: 0013-GTR19183943Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19183943Size:5 mg
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Description
7,22,25-Stigmastatrienol is a phytosterol of natural origin. It is utilized in biochemical research, particularly in studies investigating sterol metabolism and membrane properties in both cellular (in vitro) and organismal (in vivo) experimental models.
CAS Number
14485-48-4
Smiles
[H][C@@]1 (CC[C@@]2 ([H]) C3=CC[C@@]4 ([H]) C[C@@H] (O) CC[C@]4 (C) [C@@]3 ([H]) CC[C@]12C) [C@H] (C) \C=C\[C@@H] (CC) C (C) =C |t:6|
Molecular Formula
C29H46O
Molecular Weight
410.686
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Stigmasta-7,22E,25-trien-3beta-ol

Stigmasta-7,22E,25-trien-3beta-ol is a steroid. It derives from a hydride of a stigmastane.

CAS Number14485-48-4
PubChem CID5283656
IUPAC Name(3S,5S,9R,10S,13R,14R,17R)-17-[(2R,3E,5R)-5-ethyl-6-methylhepta-3,6-dien-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H46O
Molecular Weight410.7
XLogP8.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity716
SMILES
CC[C@H](/C=C/[C@@H](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)C(=C)C
InChI
InChI=1S/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,20-23,25-27,30H,2,7,10,12-18H2,1,3-6H3/b9-8+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey
IMWBKGMKWXIXEQ-FXIAWGAOSA-N
Chemical Structure
2D Structure
2D structure of Stigmasta-7,22E,25-trien-3beta-ol
CAS: 14485-48-4
CID: 5283656
Formula: C29H46O
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP38.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass410.354866087
Monoisotopic Mass410.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity716
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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