LIPID MAPS

Structure Database (LMSD)

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Common Name

Ganoweberianic acid G

Systematic Name

25S-3β,15β,28-trihydroxy-7,11,23-trioxolanosta-8-en-26-oic acid.

Synonyms

LM ID

LMST01010419

Formula

C₃₀H₄₄O₇

Exact Mass

Calculate m/z

516.308706

Sum Composition

ST 30:5;O7

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1021/acs.jnatprod.0c00879

String Representations

InChiKey (Click to copy)

AHOONYRTRBKKRD-AFPYZBLESA-N

InChi (Click to copy)

InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18,21-23,34-35H,8-14H2,1-7H3,(H,36,37)/t15-,16+,18-,21+,22+,23-,28+,29-,30+/m1/s1

SMILES (Click to copy)

C1C[C@H](O)[C@](C)(C)[C@]2([H])CC(=O)C3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)CC(=O)C[C@@H](C(=O)O)C)C[C@@H](O)[C@]13C

Other Databases

PubChem CID

171120249

Calculated Physicochemical Properties

Heavy Atoms 37

Rings 4

Aromatic Rings 0

Rotatable Bonds 6

Van der Waals Molecular Volume 526.45

Topological Polar Surface Area 128.97

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 7

logP 4.70

Molar Refractivity 138.45

Admin

Created at

28th Oct 2020

Updated at