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Substance Name: Fasciculic acid B
RN: 126882-55-1
InChIKey: SWRXIGFQDQTNKP-RAOJVCEKSA-N

Note

  • Ester of fasciculol B & 3-hydroxy-3-methylglutaric acid; calmodulin antagonist from mushroom Naematoloma fasciculare.

Molecular Weight

  • 636.861
 
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Names and Synonyms

Name of Substance

  • Fasciculic acid B

Synonym

  • 2-O-(3-Hydroxy-3-methylglutaryl) fasciculol B

Systematic Name

  • Lanost-8-ene-2,3,12,24,25-pentol, 2-(hydrogen 3-hydroxy-3-methylpentanedioate), (2alpha,3beta,12alpha,24R)-

Registry Numbers

CAS Registry Number

  • 126882-55-1

System Generated Number

  • 0126882551

Structure Descriptors

InChI

1S/C36H60O9/c1-20(10-13-26(37)32(4,5)43)21-14-15-35(8)22-11-12-25-31(2,3)30(42)24(45-29(41)19-33(6,44)18-28(39)40)17-34(25,7)23(22)16-27(38)36(21,35)9/h20-21,24-27,30,37-38,42-44H,10-19H2,1-9H3,(H,39,40)/t20-,21-,24-,25?,26-,27+,30+,33?,34-,35+,36+/m1/s1

InChIKey

SWRXIGFQDQTNKP-RAOJVCEKSA-N

Smiles

C1[C@H]([C@@H](C(C)(C)[C@@H]2CCC=3[C@]4(C)CC[C@@H]([C@@H](CC[C@H](C(C)(C)O)O)C)[C@@]4(C)[C@H](CC3[C@@]12C)O)O)OC(C[C@@](CC(=O)O)(C)O)=O