Structure Database (LMSD)
Common Name
Ganodecalone B
Systematic Name
27-nor-lanosta-8,23E-dien-3,11,25-trione
Synonyms
LM ID
LMST01010407
Formula
Exact Mass
Calculate m/z
438.313395
Sum Composition
Status
Active
3D model of Ganodecalone B
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
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Ganoderma calidophilum
(#2026244)
Agaricomycetes
(#155619)
Lanostane-type triterpenoids from the fruiting body of Ganoderma calidophilum.,
Phytochemistry, 2017
Phytochemistry, 2017
Pubmed ID:
28800421
String Representations
InChiKey (Click to copy)
SGBNYANGOPKPRX-QCVMKDKESA-N
InChi (Click to copy)
InChI=1S/C29H42O3/c1-18(9-8-10-19(2)30)20-13-16-28(6)21-11-12-23-26(3,4)24(32)14-15-27(23,5)25(21)22(31)17-29(20,28)7/h8,10,18,20,23H,9,11-17H2,1-7H3/b10-8+/t18-,20-,23+,27+,28+,29-/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)C/C=C/C(C)=O)CC[C@]13C
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
32
Rings
4
Aromatic Rings
0
Rotatable Bonds
4
Van der Waals Molecular Volume
473.99
Topological Polar Surface Area
51.21
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
6.66
Molar Refractivity
128.04
Admin
Created at
5th Aug 2020
Updated at
5th Aug 2020