Structure Database (LMSD)

Common Name
Ganocasurarin B
Systematic Name
14-demethyl-lanosta-8(14),24-dien-15α-methyl-3β,7α,9α,15β,26-pentaol
Synonyms
LM ID
LMPR0106050008
Status
Active
Exact Mass
Calculate m/z
490.365825
Formula


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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

String Representations

InChiKey (Click to copy)
GQTPJOWTKSDIOQ-RYENBMNQSA-N
InChi (Click to copy)
InChI=1S/C30H50O5/c1-18(17-31)9-8-10-19(2)20-16-29(7,34)25-24-21(32)15-22-26(3,4)23(33)11-12-28(22,6)30(24,35)14-13-27(20,25)5/h9,19-23,31-35H,8,10-17H2,1-7H3/b18-9+/t19-,20-,21-,22+,23+,27-,28+,29-,30-/m1/s1
SMILES (Click to copy)
C1C[C@H](O)C(C)(C)[C@]2([H])C[C@@H](O)C3=C4[C@@]([C@](C[C@@]4(C)O)([C@@H](CC/C=C(\C)/CO)C)[H])(CC[C@]3(O)[C@]21C)C

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma casuarinicola (#2057914)
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

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 0
Rotatable Bonds 5
Van der Waals Molecular Volume 516.79
Topological Polar Surface Area 101.15
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 5
logP 5.94
Molar Refractivity 141.07

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Created at
25th Feb 2021
Updated at
25th Feb 2021