Structure Database (LMSD)
Common Name
alatolide
Systematic Name
(1E,4Z)-14,15-dihydroxy-8α-(2-methylpropanoyloxy)germacra-1(10),4,11(13)-trieno-12,6α-lactone
Synonyms
- Alatolide
3D model of alatolide
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)
IAKJNLGPQQXWAV-YINPGZOOSA-N
InChi (Click to copy)
InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h5,8,11,15-17,20-21H,3-4,6-7,9-10H2,1-2H3/b13-5-,14-8-/t15-,16+,17+/m0/s1
SMILES (Click to copy)
[C@]12([H])C(=C)C(O[C@]1([H])C=C(CO)CCC=C(CO)C[C@@H]2OC(=O)C(C)C)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
2
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
352.08
Topological Polar Surface Area
95.13
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
6
logP
2.82
Molar Refractivity
93.42
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Created at
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Updated at
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