Structure Database (LMSD)

Common Name
Ganodermanontriol
Systematic Name
3-oxo-lanosta-7,9(11)-dien-24S,25R,26-triol
Synonyms
LM ID
LMPR0106050005
Status
Active
Exact Mass
Calculate m/z
472.35526
Formula
C30H48O4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Level 4 Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C30 isoprenoids (triterpenes) [PR0106]
Lanostane triterpenoids [PR010605]

String Representations

InChiKey (Click to copy)
KASALCUNLBTNAA-LIPCCPSCSA-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

CHEBI ID
68858
PubChem CID
3001811

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

Admin

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