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

*Links on SpectraBase are not permalinks.

HEXAHYDROECHINULIN

View entire compound with spectra: 1 NMR, and 2 MS (GC)

HEXAHYDROECHINULIN
SpectraBase Compound ID 9oHJB0z5sal
InChI InChI=1S/C29H45N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h14-15,17-19,24,32H,9-13,16H2,1-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
InChIKey YSUZVTBBIFBKGZ-CYFREDJKSA-N
Mol Weight 467.7 g/mol
Molecular Formula C29H45N3O2
Exact Mass 467.351178 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 4tMLCuXzjUV
Name 2,5-Piperazinedione, 3-[[2-(1,1-dimethylpropyl)-5,7-bis(3-methylbutyl)-1H-indol-3-yl]methyl]-6-methyl-, (3S-cis)-
Alternate Name(s) (3S,6S)-3-[(5,7-diisopentyl-2-tert-pentyl-1H-indol-3-yl)methyl]-6-methyl-2,5-piperazinedione Echinulin, hexahydro- Hexahydroechinulin Hexahydroechinuline Hydroechinulin Hydroechinuline
CAS Registry Number 22839-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H45N3O2
InChI InChI=1S/C29H45N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-20(12-10-17(2)3)14-21(25(22)32-26)13-11-18(4)5/h14-15,17-19,24,32H,9-13,16H2,1-8H3,(H,30,34)(H,31,33)/t19-,24-/m0/s1
InChIKey YSUZVTBBIFBKGZ-CYFREDJKSA-N
Molecular Weight 467.698 g/mol
SMILES [nH]1c2c(c(C[C@]3(C(N[C@@](C)(C(N3)=O)[H])=O)[H])c1C(CC)(C)C)cc(cc2CCC(C)C)CCC(C)C
SPLASH splash10-0006-1009000000-1aee19ba0c3c49ee896c
Source of Spectrum KO-4-144-5
Wiley ID 1392230