Structure Database (LMSD)

Common Name
Fasciculic acid A
Systematic Name
Lanost-8-ene-2α,3β,24R,25-tetraol, 2-(3S-hydroxy-3-methylpentanedioate)
Synonyms
LM ID
LMST01010638
Formula
Exact Mass
Calculate m/z
620.428821
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Hypholoma fasciculare (#72129)
Agaricomycetes (#155619)
Fasciculic acids A, B and C as calmodulin antagonists from the mushroom Naematoloma fasciculare.,
Chem Pharm Bull, 1989

String Representations

InChiKey (Click to copy)
VOAJMYUEWCGJID-SDJDHMAGSA-N
InChi (Click to copy)
InChI=1S/C36H60O8/c1-21(10-13-27(37)32(4,5)42)22-14-16-36(9)24-11-12-26-31(2,3)30(41)25(44-29(40)20-33(6,43)19-28(38)39)18-34(26,7)23(24)15-17-35(22,36)8/h21-22,25-27,30,37,41-43H,10-20H2,1-9H3,(H,38,39)/t21-,22-,25-,26+,27-,30+,33+,34-,35-,36+/m1/s1
SMILES (Click to copy)
C1[C@@]2(C)[C@@]([H])(CCC3=C2CC[C@@]2([C@@H]([C@@H](CC[C@@H](O)C(O)(C)C)C)CC[C@@]32C)C)C(C)(C)[C@@H](O)[C@@H]1OC(=O)C[C@](O)(C)CC(O)=O

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 44
Rings 4
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 644.32
Topological Polar Surface Area 144.52
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 8
logP 7.21
Molar Refractivity 171.07

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Created at
13th Aug 2026
Updated at
13th Aug 2026