LIPID MAPS

Structure Database (LMSD)

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Common Name

2alpha,6alpha-epoxyhimachalan-3beta-ol

Systematic Name

Synonyms

LM ID

LMPR01030045

Formula

C₁₅H₂₆O₂

Exact Mass

Calculate m/z

238.19328

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Juniperus chinensis (#50182)

Pinopsida (#58019)

Natural sesquiterpenoids.,
Nat Prod Rep, 2000

Pubmed ID: 11072895

String Representations

InChiKey (Click to copy)

ASXSVCYEAPHTSV-CUZKYEQNSA-N

InChi (Click to copy)

InChI=1S/C15H26O2/c1-10-6-5-7-13(2,3)11-12-14(4,16)8-9-15(10,11)17-12/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m0/s1

SMILES (Click to copy)

[C@]123O[C@@H]([C@]1([H])C(C)(C)CCC[C@@H]2C)[C@](O)(C)CC3

Other Databases

PubChem CID

10728656

Calculated Physicochemical Properties

Heavy Atoms 17

Rings 4

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 244.76

Topological Polar Surface Area 31.53

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 2

logP 3.99

Molar Refractivity 69.28

Admin

Created at

11th May 2021

Updated at