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Details

Stereochemistry RACEMIC
Molecular Formula C38H41N3O5
Molecular Weight 619.7492
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CRYPTOECHINULINE D

SMILES

C[C@@H]1C[C@]2(NC(=O)\C(NC2=O)=C\C3=C(NC4=CC=CC=C34)C(C)(C)C=C)[C@H](\C=C\C5=C(C=O)C(O)=C(CC=C(C)C)C=C5O)C=C1

InChI

InChIKey=DOQVFGVANXVUDE-XHWYNCRTSA-N
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

HIDE SMILES / InChI

Molecular Formula C38H41N3O5
Molecular Weight 619.7492
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:47:20 GMT 2023
Edited
by admin
on Sat Dec 16 01:47:20 GMT 2023
Record UNII
8E7H32685Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CRYPTOECHINULINE D
Common Name English
(±)-CRYPTOECHINULINE D
Common Name English
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-
Systematic Name English
CRYPTOECHINULINE D, (±)-
Common Name English
Code System Code Type Description
CAS
58098-50-3
Created by admin on Sat Dec 16 01:47:20 GMT 2023 , Edited by admin on Sat Dec 16 01:47:20 GMT 2023
PRIMARY
PUBCHEM
122201394
Created by admin on Sat Dec 16 01:47:20 GMT 2023 , Edited by admin on Sat Dec 16 01:47:20 GMT 2023
PRIMARY
FDA UNII
8E7H32685Y
Created by admin on Sat Dec 16 01:47:20 GMT 2023 , Edited by admin on Sat Dec 16 01:47:20 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE