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Substance Name: 12'-Hydroxystrychnobiline
RN: 88668-50-2
InChIKey: YQRWCHPSAPRFOS-LHYODZITSA-N

Molecular Formula

  • C40-H46-N4-O3

Molecular Weight

  • 630.828
 
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Names and Synonyms

Results Name

  • 12'-Hydroxystrychnobiline

Synonym

  • 12'-Hydroxystrychnobiline

Systematic Name

  • 17-Norcuran-12-ol, 1-acetyl-19,20-didehydro-16-((10alpha,13beta)-23-deoxy-11-oxa-12,24-secostrychnidin-10-yl)-, (16alpha,19E)-

Registry Numbers

CAS Registry Number

  • 88668-50-2

System Generated Number

  • 0088668502

Structure Descriptors

InChI

1S/C40H46N4O3/c1-4-23-19-41-15-13-39-28-9-6-7-11-30(28)44-36(39)27(25(23)17-32(39)41)21-47-38(44)34-26-18-33-40(14-16-42(33)20-24(26)5-2)29-10-8-12-31(46)35(29)43(22(3)45)37(34)40/h4-12,25-27,32-34,36-38,46H,13-21H2,1-3H3/b23-4+,24-5+

InChIKey

YQRWCHPSAPRFOS-LHYODZITSA-N

Smiles

c1ccc2c([C@@]34[C@@H]5N2[C@@H]([C@@H]2[C@@H]6N(c7c(cccc7[C@@]76[C@@H]6C[C@@H]2\C(C[N@@]6CC7)=C/C)O)C(C)=O)OC[C@@H]5[C@@H]\2C[C@@H]4[N@@](CC3)CC2=C/C)c1