Structure Database (LMSD)
Common Name
(+)-Marmasmic acid
Systematic Name
Synonyms
3D model of (+)-Marmasmic acid
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)
BIUVCPLWWOLECJ-LIHVSQBMSA-N
InChi (Click to copy)
InChI=1S/C15H18O4/c1-13(2)4-8-3-9(6-16)14-7-15(14,10(8)5-13)12(18)19-11(14)17/h3,6,8,10-11,17H,4-5,7H2,1-2H3/t8-,10+,11?,14+,15-/m1/s1
SMILES (Click to copy)
C1(C=O)=C[C@]2([H])CC(C)(C)C[C@]2([H])[C@@]23C[C@@]12C(O)OC3=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
19
Rings
4
Aromatic Rings
0
Rotatable Bonds
1
Van der Waals Molecular Volume
245.86
Topological Polar Surface Area
65.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
4
logP
1.72
Molar Refractivity
66.24
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Created at
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Updated at
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