Structure Database (LMSD)

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

Classification

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

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
11th May 2021