Structure Database (LMSD)

Common Name
Ganoderic acid S
Systematic Name
22SR-acetoxy-3α,15α-dihydrocy-lanost-7,9(11),24-triene-26-oic acid
Synonyms
LM ID
LMPR0106050017
Formula
C32H48O6
Exact Mass
Calculate m/z
528.34509
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ganoderma lucidum (#5315)
Agaricomycetes (#155619)
Ganoderic acid derivatives and ergosta-4,7,22-triene-3,6-dione from Ganoderma lucidum,
Phytochemistry, 1987

String Representations

InChiKey (Click to copy)
PXBRGMAJKPPNOG-GPYFUNQQSA-N
InChi (Click to copy)
InChI=1S/C32H48O6/c1-18(28(36)37)9-11-24(38-20(3)33)19(2)23-17-27(35)32(8)22-10-12-25-29(4,5)26(34)14-15-30(25,6)21(22)13-16-31(23,32)7/h9-10,13,19,23-27,34-35H,11-12,14-17H2,1-8H3,(H,36,37)/b18-9+/t19-,23+,24-,25-,26+,27-,30+,31+,32+/m0/s1
SMILES (Click to copy)
[C@H](OC(C)=O)(C/C=C(/C(=O)O)\C)[C@H]([C@]1([H])[C@]2(C)[C@@](C3=CC[C@]4([H])[C@@](CC[C@H]([C@@]4(C)C)O)(C)C3=CC2)(C)[C@@H](O)C1)C

Other Databases

PubChem CID
101602260

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings
Rotatable Bonds 7
Van der Waals Molecular Volume 552.26
Topological Polar Surface Area 104.06
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 6.69
Molar Refractivity 148.61

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Created at
15th Dec 2023
Updated at
15th Dec 2023