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Stigmasta-4,22-dien-3-one

CAT: 0013-GTR19181401Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19181401Size:5 mg
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Description
Stigmasta-4,22-dien-3-one is a steroidal compound identified for its antioxidant properties. It is utilized in biochemical research to investigate oxidative stress mechanisms and evaluate cytoprotective effects in various in vitro cellular models.
CAS Number
55722-32-2
Field of Research
Metabolism Research
Smiles
CC[C@H] (C (C) C) \C=C\[C@@H] (C) [C@H]1CC[C@H]2[C@@H]3CCC4=CC (=O) CC[C@]4 (C) [C@H]3CC[C@]12C
Molecular Formula
C29H46O
Molecular Weight
410.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Stigmasta-4,22-Dien-3-One

Stigmasta-4,22-dien-3-one is a steroid. It derives from a hydride of a stigmastane.

CAS Number55722-32-2
PubChem CID6442194
IUPAC Name(8S,9S,10R,13R,14S,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC29H46O
Molecular Weight410.7
XLogP8.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity714
SMILES
CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)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/h8-9,18-21,24-27H,7,10-17H2,1-6H3/b9-8+/t20-,21-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey
MKGZDUKUQPPHFM-LPJPOILFSA-N
Chemical Structure
2D Structure
2D structure of Stigmasta-4,22-Dien-3-One
CAS: 55722-32-2
CID: 6442194
Formula: C29H46O
MW: 410.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.7
XLogP38.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass410.354866087
Monoisotopic Mass410.354866087
Topological Polar Surface Area17.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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