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Progesterone Impurity 71

CAT: 1299-RM-P156571-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P156571-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14776-97-7
Synonyms
(3aR,9aR,9bR) -3a-methyl-6- (3-oxobutyl) -1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7 (3aH) -dione/ (3aS,9aS,9bS) -3a-methyl-6- (3-oxobutyl) -1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7 (3aH) -dione
Molecular Formula
C18H24O3
Molecular Weight
288.39
Target Alternative Name
Progesterone
Product Name Synonym
(3aR,9aR,9bR) -3a-methyl-6- (3-oxobutyl) -1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7 (3aH) -dione/ (3aS,9aS,9bS) -3a-methyl-6- (3-oxobutyl) -1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7 (3aH) -dione

Chemical Information

(3aR,9aR,9bR)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7(3aH)-dione/(3aS,9aS,9bS)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7(3aH)-dione
CAS Number14776-97-7
PubChem CID177836901
IUPAC Name(3aS,9aS,9bS)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione;(3aR,9aR,9bR)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydrocyclopenta[a]naphthalene-3,7-dione
Molecular FormulaC36H48O6
Molecular Weight576.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity543
SMILES
CC(=O)CCC1=C2CC[C@@]3([C@@H]([C@H]2CCC1=O)CCC3=O)C.CC(=O)CCC1=C2CC[C@]3([C@H]([C@@H]2CCC1=O)CCC3=O)C
InChI
InChI=1S/2C18H24O3/c2*1-11(19)3-4-14-12-9-10-18(2)15(6-8-17(18)21)13(12)5-7-16(14)20/h2*13,15H,3-10H2,1-2H3/t2*13-,15+,18+/m10/s1
InChIKey
MQFWWCFGZWDFMR-LNOLVWJBSA-N
Chemical Structure
2D Structure
2D structure of (3aR,9aR,9bR)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7(3aH)-dione/(3aS,9aS,9bS)-3a-methyl-6-(3-oxobutyl)-1,2,4,5,8,9,9a,9b-octahydro-3H-cyclopenta[a]naphthalene-3,7(3aH)-dione
CAS: 14776-97-7
CID: 177836901
Formula: C36H48O6
MW: 576.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass576.34508925
Monoisotopic Mass576.34508925
Topological Polar Surface Area102 Ų
Heavy Atom Count42
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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