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5β-Hydroxy drospirenone

CAT: 0926-XHA72170-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-XHA72170-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
197721-70-3
Smiles
CC12CCC (=O) CC1 (C3CC3C4C2CCC5 (C4C6CC6C57CCC (=O) O7) C) O
Molecular Formula
C24H32O4
Molecular Weight
384.5 g/mol
Controlled
No

Chemical Information

5-Hydroxydrospirenone
CAS Number197721-70-3
PubChem CID15516076
IUPAC Name(1R,2R,4R,5R,10R,11S,14S,15S,16S,18S,19S)-5-hydroxy-10,14-dimethylspiro[hexacyclo[9.8.0.02,4.05,10.014,19.016,18]nonadecane-15,5'-oxolane]-2',7-dione
Molecular FormulaC24H32O4
Molecular Weight384.5
XLogP2.7
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count28
Formal Charge0
Complexity821
SMILES
C[C@]12CCC(=O)C[C@]1([C@@H]3C[C@@H]3[C@@H]4[C@@H]2CC[C@]5([C@H]4[C@@H]6C[C@@H]6[C@@]57CCC(=O)O7)C)O
InChI
InChI=1S/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3/t13-,14+,15-,16+,17-,19+,20-,21+,22-,23+,24-/m0/s1
InChIKey
RQANBDIXNMIXPA-DHHRPGCOSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxydrospirenone
CAS: 197721-70-3
CID: 15516076
Formula: C24H32O4
MW: 384.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.5
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass384.23005950
Monoisotopic Mass384.23005950
Topological Polar Surface Area63.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity821
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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