Structure Database (LMSD)

Common Name
(+)-Totarol
Systematic Name
(+)-8,11,13-totara-trien-13-ol
Synonyms
LM ID
LMPR0104070001
Status
Active
Exact Mass
Calculate m/z
286.229665
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)
ZRVDANDJSTYELM-FXAWDEMLSA-N
InChi (Click to copy)
InChI=1S/C20H30O/c1-13(2)18-14-7-10-17-19(3,4)11-6-12-20(17,5)15(14)8-9-16(18)21/h8-9,13,17,21H,6-7,10-12H2,1-5H3/t17-,20+/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3C=CC(O)=C(C(C)C)C=3CC[C@@]2([H])C1(C)C

References

Other Databases

Wikipedia
CHEBI ID
PubChem CID
Cayman ID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 307.45
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 5.55
Molar Refractivity 88.99

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Created at
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Updated at
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