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Substance Name: Fusacandin A
RN: 166407-33-6
InChIKey: XRQGNAQBXJWDHO-BPNMBZMZSA-N

Note

  • Belongs to the papulacandin class of compounds; isolated from Fusarium sambucinum.

Molecular Formula

  • C51-H74-O21

Molecular Weight

  • 1023.1246
 
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Names and Synonyms

Results Name

  • Fusacandin A

Synonym

  • Fusacandin A

Systematic Name

  • D-Glucitol, O-beta-D-galactopyranosyl-(1-2)-O-6-O-((2E,4Z)-1-oxo-2,4-decadienyl)-beta-D-galactopyranosyl-(1-3)-1,5-anhydro-1-C-(2,4-dihydroxy-6-(hydroxymethyl)phenyl)-, 3-((2E,4E,7S,8E,10E)-7-hydroxy-2,4,8,10-hexadecatetraenoate)

Registry Numbers

CAS Registry Number

  • 166407-33-6

System Generated Number

  • 0166407336

Structure Descriptors

InChI

1S/C51H74O21/c1-3-5-7-9-11-13-16-20-31(55)21-17-15-19-23-38(59)70-48-45(65)47(39-30(26-52)24-32(56)25-33(39)57)67-35(28-54)46(48)71-51-49(72-50-44(64)42(62)40(60)34(27-53)68-50)43(63)41(61)36(69-51)29-66-37(58)22-18-14-12-10-8-6-4-2/h11-20,22-25,31,34-36,40-57,60-65H,3-10,21,26-29H2,1-2H3/b13-11+,14-12-,17-15+,20-16+,22-18+,23-19+/t31?,34-,35+,36+,40-,41-,42-,43-,44+,45-,46+,47-,48+,49+,50-,51-/m0/s1

InChIKey

XRQGNAQBXJWDHO-BPNMBZMZSA-N

Smiles

CCCCC/C=C/C=C/C(C/C=C/C=C/C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)COC(=O)/C=C/C=C\CCCCC)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@@H](O3)CO)O)O)O)CO)c4c(cc(cc4O)O)CO)O)O