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Aconitane-1,7,8-triol, 20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-, (1.alpha.,6.beta.,14.alpha.,16.beta.)-
SpectraBase Compound ID EstcGoOottv
InChI InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16?,17-,18?,19-,20?,21+,22+,23-,24+,25+/m1/s1
InChIKey JVBLTQQBEQQLEV-KKXDXCNYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C25H41NO7
Exact Mass 467.288303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Tmmixlhing
Name Aconitane-1,7,8-triol, 20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-, (1.alpha.,6.beta.,14.alpha.,16.beta.)-
CAS Registry Number 509-18-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H41NO7
InChI InChI=1S/C25H41NO7/c1-6-26-11-22(12-30-2)8-7-16(27)24-14-9-13-15(31-3)10-23(28,17(14)18(13)32-4)25(29,21(24)26)20(33-5)19(22)24/h13-21,27-29H,6-12H2,1-5H3/t13-,14-,15-,16?,17-,18?,19-,20?,21+,22+,23-,24+,25+/m1/s1
InChIKey JVBLTQQBEQQLEV-KKXDXCNYSA-N
Molecular Weight 467.603 g/mol
SMILES O[C@]12C[C@]([C@]3(C[C@@]([C@]45[C@@]6(N(C[C@@]([C@]5(C([C@@]26O)OC)[H])(CCC4O)COC)CC)[H])([C@@]1(C3OC)[H])[H])[H])(OC)[H]
SPLASH splash10-0udi-2322900000-00847fc78f5953a0ca6c
Source of Spectrum W5-36017-29519-29519
Synonyms 20-Ethyl-6,14,16-trimethoxy-4-(methoxymethyl)aconitane-1,7,8-triol Acomonine Aconitane-1,7,8-triol, 16-ethyl-6,10,19-trimethoxy-4-(methoxymethyl)-, (1.alpha.,6.beta.,10.alpha.,19.beta.)- Aconitane-1,7,8-triol, 20-ethyl-4-(methoxymethyl)-6,14,16-trimethoxy-, (1-alpha,6-beta,14-alpha,16-beta)- Aconitane-1,7,8-triol, 20-ethyl-6,14,16-trimethoxy-4-(methoxymethyl)-, (1alpha,6beta,14alpha,16beta)- Delsoline BRN 1555749
Wiley ID 1392177