Structure Database (LMSD)

Common Name
(+)-Luricularic acid
Systematic Name
(+)-13(17),15-cleistanthadiene-18-oic acid
Synonyms
LM ID
LMPR0104100002
Formula
C20H30O2
Exact Mass
Calculate m/z
302.22458
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C20 isoprenoids (diterpenes) [PR0104]
Cleistanthane and isocleistanthane diterpenoids [PR010410]

String Representations

InChiKey (Click to copy)
XFHAKDIYTJGGSQ-YNTQHKJPSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-5-14-13(2)7-9-16-15(14)8-10-17-19(16,3)11-6-12-20(17,4)18(21)22/h5,14-17H,1-2,6-12H2,3-4H3,(H,21,22)/t14-,15-,16?,17+,19+,20+/m0/s1
SMILES (Click to copy)
C1CC[C@]2(C)C3CCC(=C)[C@H](C=C)[C@]3([H])CC[C@@]2([H])[C@@]1(C(=O)O)C

Other Databases

PubChem CID
42608215

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 327.14
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 5.06
Molar Refractivity 89.47

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Updated at
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