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Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 14-acetate, (1.alpha.,6.beta.,14.alpha.,16.beta.)-

View entire compound with spectra: 1 MS (GC)

Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 14-acetate, (1.alpha.,6.beta.,14.alpha.,16.beta.)-
SpectraBase Compound ID Lk119x7R5Fw
InChI InChI=1S/C26H41NO8/c1-6-27-11-23(12-32-3)8-7-17(29)25-15-9-14-16(33-4)10-24(30,18(15)19(14)35-13(2)28)26(31,22(25)27)21(34-5)20(23)25/h14-22,29-31H,6-12H2,1-5H3
InChIKey TUFFXFNBZVRWRL-UHFFFAOYSA-N
Mol Weight 495.6 g/mol
Molecular Formula C26H41NO8
Exact Mass 495.283217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5vziVDl1Vr
Name Aconitane-1,7,8,14-tetrol, 20-ethyl-6,16-dimethoxy-4-(methoxymethyl)-, 14-acetate, (1.alpha.,6.beta.,14.alpha.,16.beta.)-
CAS Registry Number 50676-21-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H41NO8
InChI InChI=1S/C26H41NO8/c1-6-27-11-23(12-32-3)8-7-17(29)25-15-9-14-16(33-4)10-24(30,18(15)19(14)35-13(2)28)26(31,22(25)27)21(34-5)20(23)25/h14-22,29-31H,6-12H2,1-5H3
InChIKey TUFFXFNBZVRWRL-UHFFFAOYSA-N
Molecular Weight 495.613 g/mol
SMILES OC1C23C4C5C(C(C(CC5(C5(C3N(CC(CC1)(COC)C2C5OC)CC)O)O)OC)C4)OC(=O)C
SPLASH splash10-01si-2311900000-a7b6933ca9189e983b94
Source of Spectrum W5-36606-28930-28930
Synonyms 20-Ethyl-1,7,8-trihydroxy-6,16-dimethoxy-4-(methoxymethyl)aconitan-14-yl acetate
Wiley ID 1398074