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Substance Name: Fusacandin C
RN: 180969-04-4
InChIKey: VZBDARSVABLNQZ-QFFMCNCASA-N

Molecular Formula

  • C51-H72-O21

Molecular Weight

  • 1021.1088
 
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Names and Synonyms

Results Name

  • Fusacandin C

Synonym

  • Fusacandin C

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 180969-04-4

System Generated Number

  • 0180969044

Structure Descriptors

InChI

1S/C51H72O21/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/h6,8,11-20,22-25,31,34-36,40-57,60-65H,3-5,7,9-10,21,26-29H2,1-2H3/b8-6+,13-11+,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+/m1/s1

InChIKey

VZBDARSVABLNQZ-QFFMCNCASA-N

Smiles

CCCCC\C=C\C=C\C(O)C\C=C\C=C\C(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@H]1O[C@@H]2O[C@H](COC(=O)\C=C\C=C\C\C=C\CC)[C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c4c(O)cc(O)cc4CO