Structure Database (LMSD)

Common Name
Hydrocortisone butyrate propionate
Systematic Name
11β,17α,21-trihydroxypregn-4-ene-3,20-dione 17-butyrate, 21-propionate
Synonyms
LM ID
LMST02030128
Status
Active
Exact Mass
Calculate m/z
488.277405
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
FOGXJPFPZOHSQS-AYVLZSQQSA-N
InChi (Click to copy)
InChI=1S/C28H40O7/c1-5-7-24(33)35-28(22(31)16-34-23(32)6-2)13-11-20-19-9-8-17-14-18(29)10-12-26(17,3)25(19)21(30)15-27(20,28)4/h14,19-21,25,30H,5-13,15-16H2,1-4H3/t19-,20-,21-,25+,26-,27-,28-/m0/s1
SMILES (Click to copy)
C1C(C=C2CC[C@]3([C@@]4(CC[C@]([C@]4(C[C@H](O)[C@]3([H])[C@]2(C1)C)C)(OC(=O)CCC)C(COC(=O)CC)=O)[H])[H])=O

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 491.85
Topological Polar Surface Area 106.97
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 4.95
Molar Refractivity 129.60

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Created at
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Updated at
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