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Z-Guggulsterone

CAT: 0024-sc-204414ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-204414ASize:25 mg
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CAS Number
39025-23-5

Chemical Information

Guggulsterone

Guggulsterone is a 3-hydroxy steroid. It has a role as an androgen.

CAS Number39025-23-5
PubChem CID6450278
IUPAC Name(8R,9S,10R,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,16-dione
Molecular FormulaC21H28O2
Molecular Weight312.4
XLogP3.9
Topological Polar Surface Area34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity640
SMILES
C/C=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI
InChI=1S/C21H28O2/c1-4-16-19(23)12-18-15-6-5-13-11-14(22)7-9-20(13,2)17(15)8-10-21(16,18)3/h4,11,15,17-18H,5-10,12H2,1-3H3/b16-4+/t15-,17+,18+,20+,21-/m1/s1
InChIKey
WDXRGPWQVHZTQJ-OSJVMJFVSA-N
Chemical Structure
2D Structure
2D structure of Guggulsterone
CAS: 39025-23-5
CID: 6450278
Formula: C21H28O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass312.208930132
Monoisotopic Mass312.208930132
Topological Polar Surface Area34.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity640
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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