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Substance Name: Serpentinine
RN: 36519-42-3
InChIKey: QWAUBSSAJRGKPX-ZXKDJJQISA-O

Molecular Formula

  • C42-H45-N4-O5

Molecular Weight

  • 685.841
 
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Names and Synonyms

Results Name

  • Serpentinine

Synonyms

  • NSC 72123
  • Serpentinine

Systematic Name

  • Oxayohimbanium, 3,4,5,6,16,17-hexadehydro-6-((16S,19E)-19,20-didehydro-16-(methoxycarbonyl)corynan-17-yl)-16-(methoxycarbonyl)-19-methyl-, (19alpha)- (9CI)

Registry Numbers

CAS Registry Number

  • 36519-42-3

System Generated Number

  • 0036519423

Structure Descriptors

InChI

1S/C42H44N4O5/c1-5-24-19-45-15-14-27-26-10-6-8-12-34(26)43-39(27)36(45)17-29(24)31(41(47)49-3)16-25-20-46-21-32-23(2)51-22-33(42(48)50-4)30(32)18-37(46)40-38(25)28-11-7-9-13-35(28)44-40/h5-13,20,22-23,29-32,36,43H,14-19,21H2,1-4H3/p+1/b24-5+

InChIKey

QWAUBSSAJRGKPX-ZXKDJJQISA-O

Smiles

[n+]12c(c3[nH]c4ccccc4c3c(c2)C[C@@H]([C@@H]2\C(C[N@@]3[C@@H](c4c(c5ccccc5[nH]4)CC3)C2)=C\C)C(=O)OC)C[C@@H]2C(C(=O)OC)=CO[C@@H]([C@@H]2C1)C