Structure Database (LMSD)
Common Name
Ganoderic acid S
Systematic Name
22SR-acetoxy-3α,15α-dihydrocy-lanost-7,9(11),24-triene-26-oic acid
Synonyms
3D model of Ganoderic acid S
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
References
String Representations
InChiKey (Click to copy)
PXBRGMAJKPPNOG-GPYFUNQQSA-N
InChi (Click to copy)
InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+/t19-,23+,24-,25-,26+,27-,30+,31+,32+/m0/s1
SMILES (Click to copy)
[C@H](OC(C)=O)(C/C=C(/C(=O)O)\C)[C@H]([C@]1([H])[C@]2(C)[C@@](C3=CC[C@]4([H])[C@@](CC[C@H]([C@@]4(C)C)O)(C)C3=CC2)(C)[C@@H](O)C1)C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
38
Rings
4
Aromatic Rings
Rotatable Bonds
7
Van der Waals Molecular Volume
552.26
Topological Polar Surface Area
104.06
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
6
logP
6.69
Molar Refractivity
148.61
Admin
Created at
15th Dec 2023
Updated at
15th Dec 2023