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Substance Name: Gagaminine
RN: 41060-37-1
InChIKey: CQLUYSHACKIUHL-LQAUVMAVSA-N

Molecular Formula

  • C36-H43-N-O8

Molecular Weight

  • 617.735
 
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Names and Synonyms

Name of Substance

  • Gagaminine

Systematic Name

  • Pregn-5-ene-3,8,12,14,17,20-hexol, 12-((2E)-3-phenyl-2-propenoate) 20-(3-pyridinecarboxylate), (3beta,12beta,14beta,17alpha,20S)-

Registry Numbers

CAS Registry Number

  • 41060-37-1

System Generated Number

  • 0041060371

Structure Descriptors

InChI

1S/C36H43NO8/c1-23(44-31(40)25-10-7-19-37-22-25)34(41)17-18-36(43)33(34,3)29(45-30(39)12-11-24-8-5-4-6-9-24)21-28-32(2)15-14-27(38)20-26(32)13-16-35(28,36)42/h4-13,19,22-23,27-29,38,41-43H,14-18,20-21H2,1-3H3/b12-11+/t23-,27-,28+,29+,32-,33+,34-,35?,36+/m0/s1

InChIKey

CQLUYSHACKIUHL-LQAUVMAVSA-N

Smiles

C1[C@@H](CC2=CC[C@@]3([C@@]4(CC[C@@]([C@H](C)OC(=O)c5cnccc5)([C@@]4(C)[C@@H](C[C@H]3[C@@]2(C1)C)OC(\C=C\c1ccccc1)=O)O)O)O)O