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

*Links on SpectraBase are not permalinks.

(3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one

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

(3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
SpectraBase Compound ID 5j8Bi6gszDf
InChI InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(25)26-19)14-23-8-6-22(7-9-23)10-11-24/h16-19,24H,1,3-14H2,2H3/t16-,17?,18?,19-,21-/m1/s1
InChIKey OIXWLFJIDUVQFO-UCMFBROFSA-N
Mol Weight 362.5 g/mol
Molecular Formula C21H34N2O3
Exact Mass 362.256943 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 CA01HAFgGgG
Name (3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34N2O3
InChI InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(25)26-19)14-23-8-6-22(7-9-23)10-11-24/h16-19,24H,1,3-14H2,2H3/t16-,17?,18?,19-,21-/m1/s1
InChIKey OIXWLFJIDUVQFO-UCMFBROFSA-N
Molecular Weight 362.514 g/mol
SMILES OCCN1CCN(CC2C(O[C@]3([C@@]2(CC2[C@@](CCCC2=C)(C)C3)[H])[H])=O)CC1
SPLASH splash10-0006-9301000000-6f56046a93c7a74b2469
Synonyms (3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one (3aR,8aR,9aR)-3-[[4-(2-hydroxyethyl)piperazino]methyl]-8a-methyl-5-methylene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f]benzofuran-2-one
Wiley ID 1445080