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Substance Name: Viridicatumtoxin-11-O-beta-glucoside
RN: 82657-48-5
InChIKey: SJWXUJSQHZAXKQ-UHFFFAOYSA-N

Molecular Formula

  • C36-H41-N-O15

Molecular Weight

  • 727.712
 
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Names and Synonyms

Results Name

  • Viridicatumtoxin-11-O-beta-glucoside

Synonym

  • Viridicatumtoxin-11-O-beta-glucoside

Systematic Name

  • Spiro(2-cyclohexene-1,2'(1'H)-cyclopenta(de)naphthacene)-9'-carboxamide,6'-(beta-D-glucopyranosyloxy)-7',7'a,8',11',11'a,12'-hexahydro-5',7'a,10',11'a,12'-pentahydroxy-3'-methoxy-2,6,6-trimethyl-7',8'-dioxo-, (2'S-(2'alpha,7'abeta,11'abeta,12'beta))-

Registry Numbers

CAS Registry Number

  • 82657-48-5

System Generated Number

  • 0082657485

Structure Descriptors

InChI

1S/C36H41NO15/c1-11-6-5-7-34(2,3)35(11)9-12-16-18(13(39)8-14(50-4)21(16)35)29(52-33-28(45)27(44)23(40)15(10-38)51-33)19-17(12)24(41)22-26(43)25(42)20(32(37)48)31(47)36(22,49)30(19)46/h6,8,15,22-24,26-28,33,38-45,49H,5,7,9-10H2,1-4H3,(H2,37,48)

InChIKey

SJWXUJSQHZAXKQ-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H](O)[C@@H](O)[C@@H]1CO)O)Oc1c2c3c(c(cc2O)OC)[C@@]2(C(C)(C)CCC=C2C)Cc3c2c1C(=O)[C@@]1(C(C(=C([C@@H]([C@@H]1[C@@H]2O)O)O)C(N)=O)=O)O