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Hydroxyprogesterone Impurity 12

CAT: 1299-RM-P157012-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P157012-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4954-07-8
Synonyms
(8R,9S,10R,13S,14S,17R) -17-acetyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate
Molecular Formula
C25H34O5
Molecular Weight
414.54
Target Alternative Name
Hydroxyprogesterone
Product Name Synonym
(8R,9S,10R,13S,14S,17R) -17-acetyl-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diyl diacetate

Chemical Information

20-Oxopregna-3,5-diene-3,17-diyl diacetate
CAS Number4954-07-8
PubChem CID57350207
IUPAC Name[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular FormulaC25H34O5
Molecular Weight414.5
XLogP4
Topological Polar Surface Area69.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity854
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(=C4)OC(=O)C)C)C)OC(=O)C
InChI
InChI=1S/C25H34O5/c1-15(26)25(30-17(3)28)13-10-22-20-7-6-18-14-19(29-16(2)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h6,14,20-22H,7-13H2,1-5H3/t20-,21+,22+,23+,24+,25+/m1/s1
InChIKey
NKRSTAFEONTRTA-RFXJPFPRSA-N
Chemical Structure
2D Structure
2D structure of 20-Oxopregna-3,5-diene-3,17-diyl diacetate
CAS: 4954-07-8
CID: 57350207
Formula: C25H34O5
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass414.24062418
Monoisotopic Mass414.24062418
Topological Polar Surface Area69.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity854
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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