Structure Database (LMSD)

Common Name
(-)-Sacculatal
Systematic Name
(-)-7,17-sacculatadiene-11,12-dial
Synonyms
LM ID
LMPR0104500001
Status
Active
Exact Mass
Calculate m/z
302.22458
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)
CJRSLLMDIKKFIM-VNTMZGSJSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-15(2)7-5-10-19(3)11-6-12-20(4)17(14-22)16(13-21)8-9-18(19)20/h7-8,13-14,17-18H,5-6,9-12H2,1-4H3/t17-,18-,19+,20+/m0/s1
SMILES (Click to copy)
C1C[C@]2(C)[C@@H](C=O)C(C=O)=CC[C@@]2([H])[C@@](CC/C=C(/C)\C)(C)C1

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 2
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 336.86
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 4.89
Molar Refractivity 90.54

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Created at
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Updated at
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