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Substance Name: Cadambine
RN: 54422-49-0
InChIKey: OVRROYYXOBYCSR-VAYLOVGLSA-N

Note

  • Isolated from Anthocephalus cadamba.

Molecular Formula

  • C27-H32-N2-O10

Molecular Weight

  • 544.5538
 
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Names and Synonyms

Results Name

  • Cadambine

Synonym

  • Cadambine

Systematic Name

  • D-Homooxayohimban-16-carboxylic acid, 16,17-didehydro-3,21-epoxy-19-(beta-D-glucopyranosyloxy)-, methyl ester, (3beta,19alpha,20alpha,21beta)-

Registry Numbers

CAS Registry Number

  • 54422-49-0

System Generated Number

  • 0054422490

Structure Descriptors

InChI

1S/C27H32N2O10/c1-35-24(34)15-11-36-25(38-26-22(33)21(32)20(31)18(10-30)37-26)19-14(15)8-27-23-13(6-7-29(27)9-17(19)39-27)12-4-2-3-5-16(12)28-23/h2-5,11,14,17-22,25-26,28,30-33H,6-10H2,1H3/t14?,17?,18-,19?,20-,21+,22-,25-,26+,27-/m0/s1

InChIKey

OVRROYYXOBYCSR-VAYLOVGLSA-N

Smiles

COC(=O)C1=CO[C@H](C2C1C[C@]34c5c(c6ccccc6[nH]5)CCN3CC2O4)O[C@@H]7[C@H]([C@@H]([C@H]([C@@H](O7)CO)O)O)O