Structure Database (LMSD)

Common Name
Coleone P
Systematic Name
Synonyms
LM ID
LMPR0104060001
Status
Active
Exact Mass
Calculate m/z
390.20424
Formula


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)
KRQFDWCFMSSEAM-LYDGKILTSA-N
InChi (Click to copy)
InChI=1S/C22H30O6/c1-10-9-22(10)18(27)12-13(15(25)19(22)28-11(2)23)21(5)8-6-7-20(3,4)17(21)16(26)14(12)24/h10,14,16-17,19,24,26H,6-9H2,1-5H3/t10-,14-,16+,17?,19-,21+,22+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)C3C(=O)[C@H](OC(=O)C)[C@@]4(C[C@]4([H])C)C(=O)C=3[C@H](O)[C@@H](O)C2C(C)(C)C1

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 381.90
Topological Polar Surface Area 100.90
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.82
Molar Refractivity 101.59

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Created at
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Updated at
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