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Substance Name: Cryptoechinuline B
RN: 58098-51-4
UNII: 4P1749F2KF
InChIKey: DTORJNDWFNFRER-ZLCBMZTHSA-N

Molecular Formula

  • C43-H49-N3-O5

Molecular Weight

  • 687.8761
 
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Names and Synonyms

Name of Substance

  • Cryptoechinuline B

Synonyms

  • 1,4-Diazaspiro(5.5)undecane, benzaldehyde deriv.
  • Alkaloid E 6, from aspergillus amstelodami
  • Benzaldehyde, 2-(2-(3-((2-(1,1-dimethyl-2-propenyl)-6-(3-methyl-2-butenyl)-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-butenyl)-
  • Cryptoechinuline B
  • UNII-4P1749F2KF

Registry Numbers

CAS Registry Number

  • 58098-51-4

FDA UNII

  • 4P1749F2KF

System Generated Number

  • 0058098514

Structure Descriptors

InChI

1S/C43H49N3O5/c1-9-42(7,8)39-33(31-18-14-28(13-10-25(2)3)20-35(31)44-39)22-36-40(50)46-43(41(51)45-36)23-27(6)12-16-30(43)17-19-32-34(24-47)38(49)29(21-37(32)48)15-11-26(4)5/h9-12,14,16-22,24,27,30,44,48-49H,1,13,15,23H2,2-8H3,(H,45,51)(H,46,50)/b19-17+,36-22-/t27-,30-,43-/m0/s1

InChIKey

DTORJNDWFNFRER-ZLCBMZTHSA-N

Smiles

C[C@@H]1C[C@]2(NC(=O)\C(=C\c3c([nH]c4cc(CC=C(C)C)ccc34)C(C)(C)C=C)\NC2=O)[C@H](\C=C\c5c(O)cc(CC=C(C)C)c(O)c5C=O)C=C1