Structure Database (LMSD)
Common Name
jasmolin I
Systematic Name
(1S)-2-methyl-4-oxo-3-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
Synonyms
- Jasmolin I
No other lipid differing only in stereochemistry/bond geometry found
3D model of jasmolin I
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Level 4 Class
String Representations
InChiKey (Click to copy)
NZKIRHFOLVYKFT-VUMXUWRFSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-7-8-9-10-15-14(4)18(12-17(15)22)24-20(23)19-16(11-13(2)3)21(19,5)6/h8-9,11,16,18-19H,7,10,12H2,1-6H3/b9-8-/t16-,18+,19+/m1/s1
SMILES (Click to copy)
C1([C@H](CC(=O)C=1C/C=C\CC)OC(=O)[C@H]1C(C)(C)[C@@H]1/C=C(/C)\C)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
2
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
360.31
Topological Polar Surface Area
43.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
5.07
Molar Refractivity
96.96
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Updated at
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