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4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-
SpectraBase Compound ID E5iHbxk7m59
InChI InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+/t15-,17-,19?,20?,21?/m1/s1
InChIKey OQJSSGHGITUGKL-AOORBGEGSA-N
Mol Weight 370.45 g/mol
Molecular Formula C21H26N2O4
Exact Mass 370.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2xilmAhV2VR
Name 4,5-Secoakuammilan-17-oic acid, 2,5-epoxy-1,2-dihydro-16-(hydroxymethyl)-, methyl ester, (2.alpha.,16S)-
CAS Registry Number 26988-11-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O4
InChI InChI=1S/C21H26N2O4/c1-3-13-11-22-17-10-15(13)19(12-24,18(25)26-2)20-8-9-27-21(17,20)23-16-7-5-4-6-14(16)20/h3-7,15,17,22-24H,8-12H2,1-2H3/b13-3+/t15-,17-,19?,20?,21?/m1/s1
InChIKey OQJSSGHGITUGKL-AOORBGEGSA-N
Molecular Weight 370.449 g/mol
SMILES OCC1([C@@]2(C[C@](C34C1(c1ccccc1N4)CCO3)(NC\C2=C\C)[H])[H])C(OC)=O
SPLASH splash10-0a4i-2921000000-2cc4c2f2aa182fe77f9f
Source of Spectrum H-53-750-1
Synonyms 16-Epiaspidodasycarpine Lonicerine
Wiley ID 1354364