LIPID MAPS

Structure Database (LMSD)

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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

Formula

C₃₀H₅₀O₅

Exact Mass

Calculate m/z

490.365825

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

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

Other Databases

PubChem CID

156582629

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

Admin

Created at

25th Feb 2021

Updated at