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Substance Name: Methylisoalangiside tetraacetate
RN: 194033-91-5
InChIKey: BTMHCTDJAMRQCV-NHLJGOTMSA-N

Molecular Formula

  • C36-H42-N2-O14

Molecular Weight

  • 726.728
 
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Names and Synonyms

Results Name

  • Methylisoalangiside tetraacetate

Synonym

  • Methylisoalangiside tetraacetate

Systematic Name

  • 5H-Indolo(2,3-a)pyrano(3,4-g)quinolizin-5-one,1-ethenyl-1,2,7,8,13,13b,14,14a-octahydro-10,11-dimethoxy-2-((2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy)-, (1R,2S,13bS,14aS)-

Registry Numbers

CAS Registry Number

  • 194033-91-5

System Generated Number

  • 0194033915

Structure Descriptors

InChI

1S/C36H42N2O14/c1-8-20-22-11-26-30-21(23-12-27(44-6)28(45-7)13-25(23)37-30)9-10-38(26)34(43)24(22)14-47-35(20)52-36-33(50-19(5)42)32(49-18(4)41)31(48-17(3)40)29(51-36)15-46-16(2)39/h8,12-14,20,22,26,29,31-33,35-37H,1,9-11,15H2,2-7H3/t20-,22+,26+,29-,31-,32+,33-,35+,36+/m1/s1

InChIKey

BTMHCTDJAMRQCV-NHLJGOTMSA-N

Smiles

c12c(CCN3C(C=4[C@@H](C[C@@H]13)[C@H]([C@@H](OC4)O[C@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H](O1)COC(=O)C)C=C)=O)c1cc(c(cc1[nH]2)OC)OC