Structure Database (LMSD)

Common Name
(-)-Stolondiol
Systematic Name
(-)-7,8:10,11-diepoxy-4(16)-dolabellene-17,18-diol
Synonyms
LM ID
LMPR0104240003
Status
Active
Exact Mass
Calculate m/z
336.23006
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)
AIGZUIVVXKXMDB-JADWYGHVSA-N
InChi (Click to copy)
InChI=1S/C20H32O4/c1-13-5-6-15-19(12-21,23-15)11-16-20(24-16)14(17(2,3)22)8-10-18(20,4)9-7-13/h14-16,21-22H,1,5-12H2,2-4H3/t14-,15+,16+,18+,19-,20-/m0/s1
SMILES (Click to copy)
[C@]12(CO)O[C@@H]1CCC(=C)CC[C@]1(C)CC[C@@H](C(O)(C)C)[C@]31O[C@@H]3C2

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 337.64
Topological Polar Surface Area 65.52
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.68
Molar Refractivity 94.70

Admin

Created at
-
Updated at
-