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Substance Name: Fasciculic acid C
RN: 126882-56-2
InChIKey: IOMBMOCSWVAYQU-ZZNWQZPFSA-N

Note

  • Calmodulin antagonist from mushroom Naematoloma fasciculare.

Molecular Weight

  • 709.912
 
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Names and Synonyms

Name of Substance

  • Fasciculic acid C

Synonym

  • 3-O-(N-Glycyl-3-hydroxy-3-methylglutaryl)fasciculol C

Systematic Name

  • Lanost-8-ene-2,3,12,21,24,25-hexol, 3-(5-((carboxymethyl)amino)-3-hydroxy-3-methyl-5-oxopentanoate), (2alpha,3beta,12alpha,24R)-

Registry Numbers

CAS Registry Number

  • 126882-56-2

System Generated Number

  • 0126882562

Structure Descriptors

InChI

1S/C38H63NO11/c1-33(2)26-11-10-23-24(15-28(43)38(8)22(13-14-37(23,38)7)21(20-40)9-12-27(42)34(3,4)48)36(26,6)16-25(41)32(33)50-31(47)18-35(5,49)17-29(44)39-19-30(45)46/h21-22,25-28,32,40-43,48-49H,9-20H2,1-8H3,(H,39,44)(H,45,46)/t21-,22+,25+,26?,27+,28-,32-,35?,36+,37-,38-/m0/s1

InChIKey

IOMBMOCSWVAYQU-ZZNWQZPFSA-N

Smiles

C1[C@H]([C@@H](CC[C@H](C(C)(C)O)O)CO)[C@@]2([C@@](C=3CC[C@@H]4C([C@H]([C@@H](C[C@@]4(C3C[C@@H]2O)C)O)OC(C[C@@](CC(=O)NCC(=O)O)(C)O)=O)(C)C)(C)C1)C