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Structure Database (LMSD)

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Common Name

Ganoderic acid T

Systematic Name

3α,22SR-diacetoxy-lanost-7,9(11),24-triene-26-oic acid

Synonyms

LM ID

LMPR0106050018

Formula

C₃₄H₅₀O₆

Exact Mass

Calculate m/z

554.36074

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

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

DOI: 10.1016/S0031-9422(00)83593-1

String Representations

InChiKey (Click to copy)

RXLRLJSRXDHQCH-ASNKJFCVSA-N

InChi (Click to copy)

InChI=1S/C34H50O6/c1-20(30(37)38)10-12-27(39-22(3)35)21(2)24-14-18-34(9)26-11-13-28-31(5,6)29(40-23(4)36)16-17-32(28,7)25(26)15-19-33(24,34)8/h10-11,15,21,24,27-29H,12-14,16-19H2,1-9H3,(H,37,38)/b20-10+/t21-,24+,27-,28-,29+,32+,33+,34-/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)CC1)C

Other Databases

CHEBI ID

176041

PubChem CID

21637706

Calculated Physicochemical Properties

Heavy Atoms 40

Rings 4

Aromatic Rings

Rotatable Bonds 9

Van der Waals Molecular Volume 584.22

Topological Polar Surface Area 89.90

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 6

logP 8.00

Molar Refractivity 156.26

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Created at

15th Dec 2023

Updated at