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13-Demethoxy-11(S*), 12(R*)-dihydroprotostemonine
SpectraBase Compound ID CqOWk7At7a0
InChI InChI=1S/C22H31NO5/c1-11-9-17(27-21(11)24)14-6-7-15-19-13(3)20(18-10-12(2)22(25)28-18)26-16(19)5-4-8-23(14)15/h10-11,13-20H,4-9H2,1-3H3/t11-,13-,14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKey QAAYWVNRGVTWRB-PMVIMNEFSA-N
Mol Weight 389.49 g/mol
Molecular Formula C22H31NO5
Exact Mass 389.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjmNX3mCJS
Name 13-Demethoxy-11(S*), 12(R*)-dihydroprotostemonine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31NO5
InChI InChI=1S/C22H31NO5/c1-11-9-17(27-21(11)24)14-6-7-15-19-13(3)20(18-10-12(2)22(25)28-18)26-16(19)5-4-8-23(14)15/h10-11,13-20H,4-9H2,1-3H3/t11-,13-,14-,15-,16+,17-,18+,19+,20-/m0/s1
InChIKey QAAYWVNRGVTWRB-PMVIMNEFSA-N
Molecular Weight 389.492 g/mol
SMILES [C@@]12(N(CCC[C@]3(O[C@@]([C@]([C@]23[H])(C)[H])([C@@]2(OC(=O)C(=C2)C)[H])[H])[H])[C@@](CC1)([C@]1(OC(=O)[C@](C1)(C)[H])[H])[H])[H]
SPLASH splash10-0006-0193000000-09785f3c5f305544f214
Source of Spectrum G4-71-115-5
Wiley ID 1695273