Structure Database (LMSD)

Common Name
Sundiversifolide
Systematic Name
Synonyms
LM ID
LMPR0103390002
Status
Active
Exact Mass
Calculate m/z
238.156895
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)
OXNJNKIMPIRBQC-YRRQLQLVSA-N
InChi (Click to copy)
InChI=1S/C14H22O3/c1-9-8-13-12(10(2)14(16)17-13)6-5-11(9)4-3-7-15/h5,9-10,12-13,15H,3-4,6-8H2,1-2H3/t9-,10-,12+,13+/m0/s1
SMILES (Click to copy)
C1(CCCO)[C@@H](C)C[C@H]2OC(=O)[C@@H](C)[C@H]2CC=1

References

Reference
Fraga, B. M. Natural sesquiterpenoids. Nat. Prod. Rep., 2002, 19, 650-672.

Other Databases

CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 2
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 247.13
Topological Polar Surface Area 48.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 2.86
Molar Refractivity 66.34

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Created at
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Updated at
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