Structure Database (LMSD)

Common Name
(+)-2-Sterpurene-6-ol
Systematic Name
Synonyms
LM ID
LMPR0103600002
Formula
C15H24O
Exact Mass
Calculate m/z
220.182715
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C15 isoprenoids (sesquiterpenes) [PR0103]
Sterpurane sesquiterpenoids [PR010360]

String Representations

InChiKey (Click to copy)
BFLPKQMMVQBPAM-CQDKDKBSSA-N
InChi (Click to copy)
InChI=1S/C15H24O/c1-10-12-9-13(2,3)7-11(12)8-14(4)5-6-15(10,14)16/h11,16H,5-9H2,1-4H3/t11-,14-,15-/m0/s1
SMILES (Click to copy)
[C@@]12(C)CC[C@]1(O)C(C)=C1CC(C)(C)C[C@@]1([H])C2

Other Databases

CHEBI ID
192949
PubChem CID
15625665

Calculated Physicochemical Properties

Heavy Atoms 16
Rings 3
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 237.13
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.96
Molar Refractivity 66.62

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Created at
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Updated at
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