LIPID MAPS

Structure Database (LMSD)

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Common Name

Ledol

Systematic Name

Synonyms

LM ID

LMPR01030042

Formula

C₁₅H₂₆O

Exact Mass

Calculate m/z

222.198365

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

AYXPYQRXGNDJFU-AQEIEYEASA-N

InChi (Click to copy)

InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15-/m0/s1

SMILES (Click to copy)

[C@]12([H])[C@](O)(C)CC[C@]3([H])C(C)(C)[C@]3([H])[C@@]1([H])[C@@H](C)CC2

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cephaloziella (#280806)

Jungermanniopsida (#186771)

(−)-Ledol from the liverwort Cephaloziella recurvifolia and the clarification of its identity,
Phytochemistry, 1996

DOI: 10.1016/0031-9422(95)00938-8

Other Databases

PubChem CID

11074994

Calculated Physicochemical Properties

Heavy Atoms 16

Rings 3

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 239.77

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 3.75

Molar Refractivity 66.51

Admin

Created at

23rd Apr 2021

Updated at