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Substance Name: Quadrigemine C
RN: 112295-93-9
InChIKey: XRCKDTICIIHERM-UHFFFAOYSA-N

Molecular Formula

  • C44-H50-N8

Molecular Weight

  • 690.935
 
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Names and Synonyms

Results Name

  • Quadrigemine C

Synonym

  • Quadrigemine C

Systematic Name

  • Calycanthidine, 1-demethyl-8,8'-bis(2,3,8,8a-tetrahydro-1-methylpyrrolo(2,3-b)indol-3a(1H)-yl)-, (2'beta,3'alpha,8(3aR,8aR),8'(3aR,8aR))-

Registry Numbers

CAS Registry Number

  • 112295-93-9

System Generated Number

  • 0112295939

Structure Descriptors

InChI

1S/C44H50N8/c1-49-23-19-41(27-11-5-7-17-33(27)45-37(41)49)29-13-9-15-31-35(29)47-39-43(31,21-25-51(39)3)44-22-26-52(4)40(44)48-36-30(14-10-16-32(36)44)42-20-24-50(2)38(42)46-34-18-8-6-12-28(34)42/h5-18,37-40,45-48H,19-26H2,1-4H3

InChIKey

XRCKDTICIIHERM-UHFFFAOYSA-N

Smiles

c1c2[C@@]3([C@@H]([N@@](C)CC3)Nc2ccc1)c1c2c(ccc1)[C@@]1(CC[N@@]([C@@H]1N2)C)[C@@]12c3cccc(c3N[C@@H]1[N@@](CC2)C)[C@@]12c3ccccc3N[C@@H]1[N@@](CC2)C