Structure Database (LMSD)
Common Name
Eunicea sesquiterpenoid 7
Systematic Name
(1S,2E,10R)-10-acetyl-3-methyl-7-methylidene-6-oxocyclodec-2-en-1-yl (2E)-4-hydroxy-4-methylpent-2-enoate
Synonyms
LM ID
LMFA07010888
Formula
Exact Mass
Calculate m/z
348.193675
Sum Composition
Status
Active
3D model of Eunicea sesquiterpenoid 7
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WNLDPFSWPBREOU-SURQFZOFSA-N
InChi (Click to copy)
InChI=1S/C20H28O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16,18,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,18-/m0/s1
SMILES (Click to copy)
CC(O)(/C=C/C(=O)O[C@@H]1[C@@H](CCC(=C)C(CCC(C)=C1)=O)C(C)=O)C
References
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
1
Aromatic Rings
0
Rotatable Bonds
5
Van der Waals Molecular Volume
370.31
Topological Polar Surface Area
80.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
3.65
Molar Refractivity
96.88
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Created at
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Updated at
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