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Substance Name: Vindolicine
RN: 1362-14-7
InChIKey: GTYHMLPTHUKXMG-UHFFFAOYSA-N

Note

  • Catharanthus roseus alkaloid.

Molecular Formula

  • C51-H64-N4-O12

Molecular Weight

  • 925.083
 
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Names and Synonyms

Name of Substance

  • Vindolicine

Systematic Name

  • Aspidospermidine-3-carboxylic acid, 15,15'-methylenebis(4-(acetyloxy)-6,7-didehydro-3-hydroxy-16-methoxy-1-methyl-, dimethyl ester, (2beta,3beta,4beta,5alpha,12beta,19alpha)-(2'beta,3'beta,4'beta,5'alpha,12'beta,19'alpha)-

Registry Numbers

CAS Registry Number

  • 1362-14-7

System Generated Number

  • 0001362147

Structure Descriptors

InChI

1S/C51H64N4O12/c1-11-46-15-13-19-54-21-17-48(38(46)54)32-24-30(36(62-7)26-34(32)52(5)40(48)50(60,44(58)64-9)42(46)66-28(3)56)23-31-25-33-35(27-37(31)63-8)53(6)41-49(33)18-22-55-20-14-16-47(12-2,39(49)55)43(67-29(4)57)51(41,61)45(59)65-10/h13-16,24-27,38-43,60-61H,11-12,17-23H2,1-10H3

InChIKey

GTYHMLPTHUKXMG-UHFFFAOYSA-N

Smiles

c1c(OC)c(cc2[C@@]34CC[N@@]5CC=C[C@@]([C@@H]35)([C@@H](OC(C)=O)[C@@](O)([C@@H]4N(c12)C)C(=O)OC)CC)Cc1cc2c(cc1OC)N([C@@H]1[C@@]([C@@H]([C@@]3(C=CC[N@@]4[C@@H]3[C@@]21CC4)CC)OC(C)=O)(O)C(=O)OC)C