Structure Database (LMSD)

OH OH H OH
Common Name
(+)-2-Sterpurene-6,12,15-triol
Systematic Name
Synonyms
LM ID
LMPR0103600003
Formula
C15H24O3
Exact Mass
Calculate m/z
252.172545
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]
Sterpurane sesquiterpenoids [PR010360]

String Representations

InChiKey (Click to copy)
AWMMKZCBBAJJAU-HJPIBITLSA-N
InChi (Click to copy)
InChI=1S/C15H24O3/c1-13(9-17)5-10-6-14(2)3-4-15(14,18)12(8-16)11(10)7-13/h10,16-18H,3-9H2,1-2H3/t10-,13-,14-,15-/m0/s1
SMILES (Click to copy)
[C@@]12(C)CC[C@]1(O)C(CO)=C1C[C@](CO)(C)C[C@@]1([H])C2

References

Other Databases

CHEBI ID
168094
PubChem CID
42608174

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 254.71
Topological Polar Surface Area 60.69
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 3
logP 2.47
Molar Refractivity 70.43

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Created at
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Updated at
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