Structure Database (LMSD)

Common Name
(-)-Tamariscol
Systematic Name
Synonyms
LM ID
LMPR0103570001
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Frullania tamarisci (#95764)
Jungermanniopsida (#186771)
Absolute configuration and synthesis of the liverwort sesquiterpene alcohol tamariscol,
J. Chem. Soc. Perkin Trans., 1990

String Representations

InChiKey (Click to copy)
JOARPSTUQGJONT-VQJWOFKYSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-10(2)9-15(16)12(4)6-7-13-11(3)5-8-14(13)15/h9,11-14,16H,5-8H2,1-4H3/t11-,12-,13+,14+,15+/m0/s1
SMILES (Click to copy)
C1C[C@]2([H])[C@@H](C)CC[C@@]2([H])[C@@](O)(/C=C(\C)/C)[C@H]1C

Other Databases

CHEBI ID
188164
PubChem CID
14828890

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 2
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 249.49
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.06
Molar Refractivity 68.67

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Updated at
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