For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl ester of (12.alpha.,13.alpha.,15.beta.,20.beta.)-13-Cyano-2,3,4,5,6,7,8,9,10,11,12,13-dooecahydro-13-phenyl-12,15-methano-15H-1,14-dioxabenzo[p]cycloheptadecine-20-carboxylic acid

View entire compound with spectra: 1 MS (GC)

Methyl ester of (12.alpha.,13.alpha.,15.beta.,20.beta.)-13-Cyano-2,3,4,5,6,7,8,9,10,11,12,13-dooecahydro-13-phenyl-12,15-methano-15H-1,14-dioxabenzo[p]cycloheptadecine-20-carboxylic acid
SpectraBase Compound ID ErxBE690WlN
InChI InChI=1S/C29H35NO4/c1-32-28(31)27-24-17-9-4-2-3-6-13-22-14-12-20-33-25(22)18-10-11-19-26(27)34-29(24,21-30)23-15-7-5-8-16-23/h5,7-8,10-11,15-16,18-19,24,26-27H,2-4,6,9,12-14,17,20H2,1H3/b18-10-,19-11-/t24-,26-,27+,29-/m0/s1
InChIKey YRFAXJLJRIHHEA-UMGMJGFOSA-N
Mol Weight 461.6 g/mol
Molecular Formula C29H35NO4
Exact Mass 461.256609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Dc9FpRgvy4x
Name Methyl ester of (12.alpha.,13.alpha.,15.beta.,20.beta.)-13-Cyano-2,3,4,5,6,7,8,9,10,11,12,13-dooecahydro-13-phenyl-12,15-methano-15H-1,14-dioxabenzo[p]cycloheptadecine-20-carboxylic acid
Alternate Name(s) Methyl (1S,19S,20R)-20-cyano-20-phenyl-7,21-dioxatricyclo[17.2.1.0(6,11)]docosa-2,4,6(11)-triene-22-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H35NO4
InChI InChI=1S/C29H35NO4/c1-32-28(31)27-24-17-9-4-2-3-6-13-22-14-12-20-33-25(22)18-10-11-19-26(27)34-29(24,21-30)23-15-7-5-8-16-23/h5,7-8,10-11,15-16,18-19,24,26-27H,2-4,6,9,12-14,17,20H2,1H3/b18-10-,19-11-/t24-,26-,27+,29-/m0/s1
InChIKey YRFAXJLJRIHHEA-UMGMJGFOSA-N
Molecular Weight 461.602 g/mol
SMILES [C@]1(O[C@]2(\C=C/C=C\C3=C(CCCO3)CCCCCCC[C@]1([C@]2(C(=O)OC)[H])[H])[H])(C#N)c1ccccc1
SPLASH splash10-0bt9-9810600000-82b93479acb764a94137
Source of Spectrum K-117-2187-0
Wiley ID 1390839