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Substance Name: Ildamen-novodigal
RN: 57607-36-0
InChIKey: KKXZBLGWJGJGDM-CPPVSARESA-N

Note

  • Contains beta-acetyldigoxin & oxyfedrine.

Molecular Weight

  • 1172.83
 
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Names and Synonyms

Name of Substance

  • Ildamen-novodigal

Systematic Name

  • 3beta-((O-4-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide mixt. with 3-((2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-1-propanone.HCl

Registry Numbers

CAS Registry Number

  • 57607-36-0

System Generated Number

  • 0057607360

Structure Descriptors

InChI

1S/C43H66O15.C19H23NO3.ClH/c1-20-38(55-23(4)44)30(45)17-36(53-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)52-35(16-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(48)42(6)27(10-12-43(28,42)50)24-13-34(49)51-19-24;1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2;/h13,20-22,25-33,35-40,45-48,50H,7-12,14-19H2,1-6H3;3-10,13-14,19-20,22H,11-12H2,1-2H3;1H/t;14-,19-;/m.0./s1

InChIKey

KKXZBLGWJGJGDM-CPPVSARESA-N

Smiles

C(CCN[C@@H](C)[C@@H](c1ccccc1)O)(=O)c1cc(ccc1)OC.Cl.C(=O)(O[C@@H]1[C@@H](O[C@@H](C[C@@H]1O)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1O)O[C@@H]1[C@@H](O[C@@H](C[C@@H]1O)O[C@@H]1CC[C@@]2([C@@H]3C[C@@H]([C@@]4([C@@H](CC[C@@]4([C@@H]3CC[C@@H]2C1)O)C1=CC(OC1)=O)C)O)C)C)C)C)C