Structure Database (LMSD)
Common Name
Anomanolide F
Systematic Name
Synonyms
LM ID
LMST01160094
Formula
Exact Mass
Calculate m/z
504.27232
Sum Composition
Status
Active
3D model of Anomanolide F
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)
IIXRXLFGAXOZNE-VOWCFRKOSA-N
InChi (Click to copy)
InChI=1S/C28H40O8/c1-23-12-17(18(13-23)36-22(32)26(23,4)33)28(35)21(31)11-16-14-7-10-27(34)20(30)6-5-19(29)25(27,3)15(14)8-9-24(16,28)2/h5-6,14-18,20-21,30-31,33-35H,7-13H2,1-4H3/t14-,15+,16+,17?,18-,20+,21-,23-,24+,25+,26+,27+,28-/m1/s1
SMILES (Click to copy)
C1C(=O)[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](O)(C5C[C@@]6(C)[C@](O)(C)C(=O)O[C@]5([H])C6)[C@H](O)C[C@@]4([H])[C@]3([H])CC[C@]2(O)[C@@H](O)C=1
References
Calculated Physicochemical Properties
Heavy Atoms
36
Rings
6
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
481.20
Topological Polar Surface Area
146.59
Hydrogen Bond Donors
5
Hydrogen Bond Acceptors
8
logP
2.97
Molar Refractivity
130.24
Admin
Created at
7th Dec 2023
Updated at
7th Dec 2023