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17-epi Estradiol Valerate

CAT: 1596-AR-E01891-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E01891-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
182624-54-0
Synonyms
(8R,9S,13S,14S,17R) -3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl pentanoate; 17?-Estradiol 17-Valerate; (17?) -Estra-1,3,5 (10) -triene-3,17-diol 17-Pentanoate
Molecular Formula
C23H32O3
Molecular Weight
356.51
API Name
Estradiol

Chemical Information

[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
CAS Number182624-54-0
PubChem CID12598311
IUPAC Name[(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
Molecular FormulaC23H32O3
Molecular Weight356.5
XLogP6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity518
SMILES
CCCCC(=O)O[C@@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
InChI
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3/t18-,19-,20+,21-,23+/m1/s1
InChIKey
RSEPBGGWRJCQGY-VZWAGXQNSA-N
Chemical Structure
2D Structure
2D structure of [(8R,9S,13S,14S,17R)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] pentanoate
CAS: 182624-54-0
CID: 12598311
Formula: C23H32O3
MW: 356.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass356.23514488
Monoisotopic Mass356.23514488
Topological Polar Surface Area46.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity518
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

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