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20-BETA,21-ALPHA-2,16-DIDEHYDRO-3-PHENYL-14,16-BIS-(METHOXYCARBONYL)-3,14-SECOASPIDOSPERMIDINE
SpectraBase Compound ID JCJEtLa8g3F
InChI InChI=1S/C29H34N2O4/c1-4-28(15-14-24(32)34-2)18-21(26(33)35-3)25-29(22-12-8-9-13-23(22)30-25)16-17-31(27(28)29)19-20-10-6-5-7-11-20/h5-13,27,30H,4,14-19H2,1-3H3/t27-,28+,29-/m1/s1
InChIKey BHNMEPDNEYYHTH-SSBOKUKZSA-N
Mol Weight 474.6 g/mol
Molecular Formula C29H34N2O4
Exact Mass 474.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZsQhIuTsdL
Name Dimethyl ester of 5.alpha.-2,3-Didehydro-8-phenyl-7,8-secoaspidospermidine-3,7-dicarboxylic acid
CAS Registry Number 77122-17-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H34N2O4
InChI InChI=1S/C29H34N2O4/c1-4-28(15-14-24(32)34-2)18-21(26(33)35-3)25-29(22-12-8-9-13-23(22)30-25)16-17-31(27(28)29)19-20-10-6-5-7-11-20/h5-13,27,30H,4,14-19H2,1-3H3/t27-,28+,29-/m1/s1
InChIKey BHNMEPDNEYYHTH-SSBOKUKZSA-N
Molecular Weight 474.601 g/mol
SMILES N1c2ccccc2[C@@]23C1=C(C[C@@]([C@]3(N(Cc1ccccc1)CC2)[H])(CCC(=O)OC)CC)C(=O)OC
SPLASH splash10-03kc-3092800000-6aef1e7fd36b6c1051e0
Source of Spectrum J-46-2009-0
Synonyms Methyl (3aR,4S,11bS)-3-benzyl-4-ethyl-4-(3-methoxy-3-oxopropyl)-2,3,3a,4,5,7-hexahydro-1H-pyrrolo[2,3-d]carbazole-6-carboxylate
Wiley ID 1393972