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Substance Name: Dispegatrine
RN: 102488-56-2
InChIKey: ZYQNRMXWHKJVLH-FDWQPRGYSA-P

Note

  • Isolated from roots of Rauwolfia verticillata.

Molecular Formula

  • C40-H48-N4-O4

Molecular Weight

  • 648.843
 
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Names and Synonyms

Name of Substance

  • Dispegatrine

Systematic Name

  • 9,9'-Bisarpaganium, 10,10',17,17'-tetrahydroxy04,4'-dimethyl-

Registry Numbers

CAS Registry Number

  • 102488-56-2

System Generated Number

  • 0102488562

Structure Descriptors

InChI

1S/C40H46N4O4/c1-5-19-15-43(3)29-13-23-35-27(41-39(23)31(43)11-21(19)25(29)17-45)7-9-33(47)37(35)38-34(48)10-8-28-36(38)24-14-30-26(18-46)22-12-32(40(24)42-28)44(30,4)16-20(22)6-2/h5-10,21-22,25-26,29-32,41-42,45-46H,11-18H2,1-4H3/p+2/b19-5-,20-6-

InChIKey

ZYQNRMXWHKJVLH-FDWQPRGYSA-P

Smiles

c12c(c3c4c5C[C@@H]6[N@@+]7(C)CC(\[C@@H](C[C@@H]7c5[nH]c4ccc3O)[C@@H]6CO)=C/C)c(ccc2[nH]c2c1C[C@@H]1[N@@+]3([C@@H]2C[C@@H](\C(C3)=C/C)[C@@H]1CO)C)O