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Substance Name: Cryptoechinuline D
RN: 58098-50-3
UNII: 8E7H32685Y
InChIKey: DOQVFGVANXVUDE-XHWYNCRTSA-N

Molecular Formula

  • C38-H41-N3-O5

Molecular Weight

  • 619.7579
 
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Names and Synonyms

Name of Substance

  • Cryptoechinuline D

Synonyms

  • (+/-)-Cryptoechinuline D
  • Benzaldehyde, 2-((1E)-2-((3Z,6R,7R,10S)-3-((2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl)methylene)-10-methyl-2,5-dioxo-1,4-diazaspiro(5.5)undec-8-en-7-yl)ethenyl)-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)-, rel-
  • Cryptoechinuline D
  • Cryptoechinuline D, (+/-)-
  • UNII-8E7H32685Y

Registry Numbers

CAS Registry Number

  • 58098-50-3

FDA UNII

  • 8E7H32685Y

System Generated Number

  • 0058098503

Structure Descriptors

InChI

1S/C38H41N3O5/c1-7-37(5,6)34-28(26-10-8-9-11-30(26)39-34)19-31-35(45)41-38(36(46)40-31)20-23(4)13-15-25(38)16-17-27-29(21-42)33(44)24(18-32(27)43)14-12-22(2)3/h7-13,15-19,21,23,25,39,43-44H,1,14,20H2,2-6H3,(H,40,46)(H,41,45)/b17-16+,31-19-/t23-,25-,38-/m0/s1

InChIKey

DOQVFGVANXVUDE-XHWYNCRTSA-N

Smiles

C[C@@H]1C[C@]2(NC(=O)\C(=C\c3c([nH]c4ccccc34)C(C)(C)C=C)\NC2=O)[C@H](\C=C\c5c(O)cc(CC=C(C)C)c(O)c5C=O)C=C1