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Promestriene

CAT: 1596-AR-P14841-04Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-P14841-04Size:150
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CAS Number
39219-28-8
Synonyms
(17β) -17-Methoxy-3-propoxyestra-1,3,5 (10) -triene
Molecular Formula
C22H32O2
Molecular Weight
328.50
API Name
Promestriene

Chemical Information

Promestriene

Promestriene is a steroid. It derives from a hydride of an estrane.

CAS Number39219-28-8
PubChem CID9883915
IUPAC Name(8R,9S,13S,14S,17S)-17-methoxy-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene
Molecular FormulaC22H32O2
Molecular Weight328.5
XLogP4.5
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity436
SMILES
CCCOC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC)C
InChI
InChI=1S/C22H32O2/c1-4-13-24-16-6-8-17-15(14-16)5-7-19-18(17)11-12-22(2)20(19)9-10-21(22)23-3/h6,8,14,18-21H,4-5,7,9-13H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKey
IUWKNLFTJBHTSD-AANPDWTMSA-N
Chemical Structure
2D Structure
2D structure of Promestriene
CAS: 39219-28-8
CID: 9883915
Formula: C22H32O2
MW: 328.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.5
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass328.240230259
Monoisotopic Mass328.240230259
Topological Polar Surface Area18.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity436
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C6450-5Promestriene
sc-476796Promestriene-d3
HY-108293R-01Promestriene (Standard)
RM-P130509-01Promestriene Impurity 9

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