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Dinordrin

CAT: 0013-GTR19197761-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197761-02Size:100 mg
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Description
Dinordrin is a synthetic steroid hormone known to inhibit embryo implantation. It is utilized in reproductive biology research, particularly in studies investigating hormonal regulation of early pregnancy events in both in vitro and in vivo experimental models.
CAS Number
64675-08-7
Smiles
C[C@@]12[C@] (OC (CC) =O) (C#C) CC[C@]1 ([C@]3 ([C@] (CC2) ([C@@]4 ([C@@] (CC3) (C[C@] (OC (CC) =O) (C#C) C4) [H]) [H]) [H]) [H]) [H]
Molecular Formula
C27H36O4
Molecular Weight
424.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dinordrin

implantation inhibitor; structure

CAS Number64675-08-7
PubChem CID174060
IUPAC Name[(2R,3aS,3bR,5aS,6R,8aS,8bR,10aS)-2,6-diethynyl-5a-methyl-2-propanoyloxy-3,3a,3b,4,5,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-6-yl] propanoate
Molecular FormulaC27H36O4
Molecular Weight424.6
XLogP5.3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity857
SMILES
CCC(=O)O[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3C[C@](C4)(C#C)OC(=O)CC)C)C#C
InChI
InChI=1S/C27H36O4/c1-6-23(28)30-26(8-3)16-18-10-11-20-19(21(18)17-26)12-14-25(5)22(20)13-15-27(25,9-4)31-24(29)7-2/h3-4,18-22H,6-7,10-17H2,1-2,5H3/t18-,19-,20+,21-,22-,25-,26+,27-/m0/s1
InChIKey
JJKGZDJEKZMGTD-QVNHYCNFSA-N
Chemical Structure
2D Structure
2D structure of Dinordrin
CAS: 64675-08-7
CID: 174060
Formula: C27H36O4
MW: 424.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.6
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass424.26135963
Monoisotopic Mass424.26135963
Topological Polar Surface Area52.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity857
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

Alternative Products

CatalogName
HY-123420Dinordrin
MBS5776900Dinordrin I diacetate

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