Structure Database (LMSD)

Common Name
24R,25S-Ganodermanontriol
Systematic Name
3-oxo-lanosta-7,9(11)-dien-24R,25S,26-triol
Synonyms
LM ID
LMPR0106050006
Status
Active
Exact Mass
Calculate m/z
472.35526
Formula


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
KASALCUNLBTNAA-LBZWTZNJSA-N
InChi (Click to copy)
InChI=1S/C30H48O4/c1-19(8-11-25(33)30(7,34)18-31)20-12-16-29(6)22-9-10-23-26(2,3)24(32)14-15-27(23,4)21(22)13-17-28(20,29)5/h9,13,19-20,23,25,31,33-34H,8,10-12,14-18H2,1-7H3/t19-,20-,23+,25-,27-,28-,29+,30+/m1/s1
SMILES (Click to copy)
C1CC(=O)C(C)(C)[C@]2([H])CC=C3[C@]4([C@@]([C@](CC4)([C@@H](CC[C@H]([C@@](CO)(C)O)O)C)[H])(CC=C3[C@]21C)C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma weberianum (#34468)
Agaricomycetes (#155619)
Ganoweberianones A and B, Antimalarial Lanostane Dimers from Cultivated Fruiting Bodies of the Basidiomycete Ganoderma weberianum.,
J Nat Prod, 2020
Pubmed ID: 33107297

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 505.36
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 6.46
Molar Refractivity 137.59

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Created at
28th Oct 2020
Updated at
28th Jan 2021