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(1S,3R,3aR,5aS,9aS)-3a-Methylamino-6,9a-dimethyl-1-(3-furyl)-6S-methoxycarbonyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydronaphtho[2,1-b]furan

View entire compound with spectra: 1 MS (GC)

(1S,3R,3aR,5aS,9aS)-3a-Methylamino-6,9a-dimethyl-1-(3-furyl)-6S-methoxycarbonyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydronaphtho[2,1-b]furan
SpectraBase Compound ID D6t32aoLpWS
InChI InChI=1S/C22H33NO4/c1-20-8-5-9-21(2,19(24)25-4)17(20)6-10-22(14-23-3)18(20)12-16(27-22)15-7-11-26-13-15/h7,11,13,16-18,23H,5-6,8-10,12,14H2,1-4H3/t16-,17?,18+,20-,21-,22-/m0/s1
InChIKey XHSSNVWOTIKXFN-ZIIYEJTISA-N
Mol Weight 375.5 g/mol
Molecular Formula C22H33NO4
Exact Mass 375.240959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5s4fqKCrX7d
Name (1S,3R,3aR,5aS,9aS)-3a-Methylamino-6,9a-dimethyl-1-(3-furyl)-6S-methoxycarbonyl-1,2,3,3a,4,5,5a,6,7,8,9,9a-dodecahydronaphtho[2,1-b]furan
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.240958543 u
Formula C22H33NO4
InChI InChI=1S/C22H33NO4/c1-20-8-5-9-21(2,19(24)25-4)17(20)6-10-22(14-23-3)18(20)12-16(27-22)15-7-11-26-13-15/h7,11,13,16-18,23H,5-6,8-10,12,14H2,1-4H3/t16-,17?,18+,20-,21-,22-/m0/s1
InChIKey XHSSNVWOTIKXFN-ZIIYEJTISA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0004.d18
Molecular Weight 375.509 g/mol
Optical Rotation [a]D20 = 29 (580nm) (c = 5.2)
Quality 49
SMILES N(C[C@@]12CCC3[C@](CCC[C@]3(C)C(OC)=O)([C@]1(C[C@](O2)(C=1C=COC1)[H])[H])C)C
SPLASH splash10-001i-1149000000-27ae17b977e688a13fd9
Source of Spectrum ARK-2003-180-16 (DOI: 10.3998/ark.5550190.0004.d18)
Wiley ID 1899777