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Tetrahydrocortisone

CAT: 0926-FT65182-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FT65182-01Size:5 mg
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CAS Number
53-05-4
MDL Number
MFCD00051126
Smiles
C[C@]12CC[C@H] (C[C@H]1CC[C@@H]3[C@@H]2C (=O) C[C@]4 ([C@H]3CC[C@@]4 (C (=O) CO) O) C) O
Molecular Formula
C21H32O5
Molecular Weight
364.48 g/mol
Controlled
No

Chemical Information

Tetrahydrocortisone

Urocortisone is a 21-hydroxy steroid.

CAS Number53-05-4
PubChem CID5866
IUPAC Name(3R,5R,8S,9S,10S,13S,14S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one
Molecular FormulaC21H32O5
Molecular Weight364.5
XLogP2.2
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity632
SMILES
C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O
InChI
InChI=1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14+,15+,18-,19+,20+,21+/m1/s1
InChIKey
SYGWGHVTLUBCEM-ZIZPXRJBSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydrocortisone
CAS: 53-05-4
CID: 5866
Formula: C21H32O5
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass364.22497412
Monoisotopic Mass364.22497412
Topological Polar Surface Area94.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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