Structure Database (LMSD)
Common Name
Ganoderic acid B
Systematic Name
(25R)-11,15,23-trioxo-3β,7β-dihydroxy-lanost-8-ene-26-oic acid
Synonyms
- 11,15,23-trioxo-3beta,7beta-dihydroxy-lanost-8-ene-26-oic acid
LM ID
LMST01010392
Formula
Exact Mass
Calculate m/z
516.308705
Sum Composition
Status
Active
3D model of Ganoderic acid B
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)
LWPLEHFGBRFRKI-NBCWKOIPSA-N
InChi (Click to copy)
InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,22+,28+,29-,30+/m1/s1
SMILES (Click to copy)
C(C(=O)C[C@@H](C)C(O)=O)[C@H]([C@]1([H])[C@]2(C)[C@@](C3[C@@H](O)C[C@]4([H])[C@@](CC[C@@H]([C@@]4(C)C)O)(C)C=3C(C2)=O)(C)C(=O)C1)C
References
Calculated Physicochemical Properties
Heavy Atoms
37
Rings
4
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
526.45
Topological Polar Surface Area
128.97
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
7
logP
4.70
Molar Refractivity
138.45
Admin
Created at
-
Updated at
10th Mar 2021