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MAP4343

CAT: 0607-BA4258-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4258-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
511-26-2
Form
A solid
Molecular Formula
C22H34O2
Molecular Weight
330.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Pregnenolone methyl ether
CAS Number511-26-2
PubChem CID233254
IUPAC Name1-[(3S,8S,9S,10R,13S,14S,17S)-3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
Molecular FormulaC22H34O2
Molecular Weight330.5
XLogP4.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity564
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC)C)C
InChI
InChI=1S/C22H34O2/c1-14(23)18-7-8-19-17-6-5-15-13-16(24-4)9-11-21(15,2)20(17)10-12-22(18,19)3/h5,16-20H,6-13H2,1-4H3/t16-,17-,18+,19-,20-,21-,22+/m0/s1
InChIKey
ZVGQOQHAMHMMNE-BIBIXIOVSA-N
Chemical Structure
2D Structure
2D structure of Pregnenolone methyl ether
CAS: 511-26-2
CID: 233254
Formula: C22H34O2
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass330.255880323
Monoisotopic Mass330.255880323
Topological Polar Surface Area26.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity564
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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