Structure Database (LMSD)

Common Name
Ganoderic acid T
Systematic Name
3α,15α,22SR-triacetoxy-lanost-7,9(11),24-triene-26-oic acid
Synonyms
LM ID
LMPR0106050016
Formula
C36H52O8
Exact Mass
Calculate m/z
612.36622
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)
OCLVBEOPEKEKNM-CAXIOAJTSA-N
InChi (Click to copy)
InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29-,30+,31-,34+,35+,36+/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)OC(=O)C)(C)C3=CC2)(C)[C@@H](OC(C)=O)C1)C

Other Databases

PubChem CID
21637704

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 4
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 633.76
Topological Polar Surface Area 116.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 7.83
Molar Refractivity 167.70

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