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Pregnenolone acetate

CAT: 0024-sc-236462Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-236462Size:5 g
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CAS Number
1778-02-5

Chemical Information

Pregnenolone Acetate

Pregnenolone acetate is a steroid ester.

CAS Number1778-02-5
PubChem CID2723722
IUPAC Name[(3S,8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Molecular FormulaC23H34O3
Molecular Weight358.5
XLogP4.8
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity650
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(=O)C)C)C
InChI
InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,17-21H,6-13H2,1-4H3/t17-,18-,19+,20-,21-,22-,23+/m0/s1
InChIKey
CRRKVZVYZQXICQ-RJJCNJEVSA-N
Chemical Structure
2D Structure
2D structure of Pregnenolone Acetate
CAS: 1778-02-5
CID: 2723722
Formula: C23H34O3
MW: 358.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.5
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass358.25079494
Monoisotopic Mass358.25079494
Topological Polar Surface Area43.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity650
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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