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Substance Name: Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-
RN: 5884-45-7
InChIKey: DTGZHCFJNDAHEN-IAUHIMIASA-N

Note

  • Terpenoid tetrahydroisoquinoline alkaloid from Psychotria klugii.

Molecular Formula

  • C28-H38-N2-O4

Molecular Weight

  • 466.6182
 
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Names and Synonyms

Synonym

  • Isocephaeline

Systematic Name

  • Emetan-6'-ol, 7',10,11-trimethoxy-, (1'beta)-

Registry Numbers

CAS Registry Number

  • 5884-45-7

System Generated Number

  • 0005884457

Structure Descriptors

InChI

1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23-,24-/m0/s1

InChIKey

DTGZHCFJNDAHEN-IAUHIMIASA-N

Smiles

N12[C@H](c3c(cc(c(c3)OC)OC)CC2)C[C@H](C[C@H]2c3cc(c(cc3CCN2)O)OC)[C@H](C1)CC