LIPID MAPS

Structure Database (LMSD)

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Common Name

Himachalane-3-en-6-ol

Systematic Name

Synonyms

LM ID

LMPR01030043

Formula

C₁₅H₂₆O

Exact Mass

Calculate m/z

222.198365

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)

YKKOCJJTUUOJTC-GZBFAFLISA-N

InChi (Click to copy)

InChI=1S/C15H26O/c1-11-7-9-15(16)12(2)6-5-8-14(3,4)13(15)10-11/h7,12-13,16H,5-6,8-10H2,1-4H3/t12-,13+,15+/m0/s1

SMILES (Click to copy)

[C@@]12(O)CC=C(C)C[C@]1([H])C(C)(C)CCC[C@@H]2C

Other Databases

PubChem CID

10609099

Calculated Physicochemical Properties

Heavy Atoms 16

Rings 2

Aromatic Rings 0

Rotatable Bonds 0

Van der Waals Molecular Volume 249.49

Topological Polar Surface Area 20.23

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 1

logP 4.21

Molar Refractivity 68.74

Admin

Created at

11th May 2021

Updated at