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(3S,3aR,8aR,9aR)-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one

View entire compound with spectra: 1 MS (GC)

(3S,3aR,8aR,9aR)-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
SpectraBase Compound ID 6gU4PMxmr84
InChI InChI=1S/C26H36N2O3/c1-18-7-6-10-26(2)16-24-19(15-21(18)26)20(25(29)31-24)17-27-11-13-28(14-12-27)22-8-4-5-9-23(22)30-3/h4-5,8-9,19-21,24H,1,6-7,10-17H2,2-3H3/t19-,20?,21?,24-,26-/m1/s1
InChIKey XPFOUNMBEZRCMG-WQXSUGTBSA-N
Mol Weight 424.6 g/mol
Molecular Formula C26H36N2O3
Exact Mass 424.272593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CB7YvjS6oq9
Name (3S,3aR,8aR,9aR)-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Alternate Name(s) 3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-8a-methyl-5-methylene-decahydro-naphtho[2,3-b]furan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O3
InChI InChI=1S/C26H36N2O3/c1-18-7-6-10-26(2)16-24-19(15-21(18)26)20(25(29)31-24)17-27-11-13-28(14-12-27)22-8-4-5-9-23(22)30-3/h4-5,8-9,19-21,24H,1,6-7,10-17H2,2-3H3/t19-,20?,21?,24-,26-/m1/s1
InChIKey XPFOUNMBEZRCMG-WQXSUGTBSA-N
Molecular Weight 424.585 g/mol
SMILES C1(C(O[C@]2([C@@]1(CC1[C@@](CCCC1=C)(C)C2)[H])[H])=O)CN1CCN(CC1)c1c(OC)cccc1
SPLASH splash10-05fr-5930200000-344098999afdb75476bc
Wiley ID 1444863