Structure Database (LMSD)

OH H H
Common Name
(+)-2-Himachalen-7-ol
Systematic Name
Synonyms
LM ID
LMPR0103480003
Formula
C15H26O
Exact Mass
Calculate m/z
222.198365
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Lippifoliane and himachalane sesquiterpenoids [PR010348]

String Representations

InChiKey (Click to copy)
BBAMLNIPVMLTSQ-VNHYZAJKSA-N
InChi (Click to copy)
InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3/t12-,13+,15-/m1/s1
SMILES (Click to copy)
[C@@]12([H])CCC(C)=C[C@]1([H])C(C)(C)CCC[C@]2(O)C

References

Other Databases

KEGG ID
C09682
CHEBI ID
5719
PubChem CID
121536

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

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Created at
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Updated at
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