LIPID MAPS

Structure Database (LMSD)

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Common Name

2alpha,6alpha-epoxyhimachal-3-ene

Systematic Name

Synonyms

LM ID

LMPR01030044

Formula

C₁₅H₂₄O

Exact Mass

Calculate m/z

220.182715

Status

Active

Show lipids differing only in stereochemistry/bond geometry

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)

ZKLMKYSMZGGNSI-KYEXWDHISA-N

InChi (Click to copy)

InChI=1S/C15H24O/c1-10-7-9-15-11(2)6-5-8-14(3,4)13(15)12(10)16-15/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m0/s1

SMILES (Click to copy)

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

Other Databases

PubChem CID

10822835

Calculated Physicochemical Properties

Heavy Atoms 16

Rings 4

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 233.33

Topological Polar Surface Area 11.30

Hydrogen Bond Donors 0

Hydrogen Bond Acceptors 1

logP 4.51

Molar Refractivity 67.29

Admin

Created at

11th May 2021

Updated at