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Verabenzoamine
SpectraBase Compound ID El4OxUaoN62
InChI InChI=1S/C41H59NO12/c1-8-21(3)35(45)53-34-32(44)31-23(19-42-18-20(2)9-12-29(42)38(31,5)47)24-17-39-33(40(24,34)48)25(43)16-28-37(39,4)14-13-30(41(28,49)54-39)52-36(46)22-10-11-26(50-6)27(15-22)51-7/h10-11,15,20-21,23-25,28-34,43-44,47-49H,8-9,12-14,16-19H2,1-7H3/t20-,21?,23-,24-,25+,28-,29-,30-,31+,32+,33+,34-,37-,38+,39+,40-,41-/m0/s1
InChIKey SEDYNUHTSUXLHA-UCAWUYPFSA-N
Mol Weight 757.9 g/mol
Molecular Formula C41H59NO12
Exact Mass 757.403726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tHOjph6c3a
Name Verabenzoamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C41H59NO12
InChI InChI=1S/C41H59NO12/c1-8-21(3)35(45)53-34-32(44)31-23(19-42-18-20(2)9-12-29(42)38(31,5)47)24-17-39-33(40(24,34)48)25(43)16-28-37(39,4)14-13-30(41(28,49)54-39)52-36(46)22-10-11-26(50-6)27(15-22)51-7/h10-11,15,20-21,23-25,28-34,43-44,47-49H,8-9,12-14,16-19H2,1-7H3/t20-,21?,23-,24-,25+,28-,29-,30-,31+,32+,33+,34-,37-,38+,39+,40-,41-/m0/s1
InChIKey SEDYNUHTSUXLHA-UCAWUYPFSA-N
Molecular Weight 757.918 g/mol
SMILES O[C@@]1([C@]2([C@]([C@@]3(C[C@]45[C@]([C@@]3([C@]1(OC(=O)C(CC)C)[H])O)([C@@](C[C@]1([C@@]5(CC[C@@]([C@]1(O4)O)(OC(c1cc(OC)c(cc1)OC)=O)[H])C)[H])(O)[H])[H])[H])(CN1[C@]([C@]2(O)C)(CC[C@@](C1)(C)[H])[H])[H])[H])[H]
SPLASH splash10-08ji-0900150000-22803fdc9bf6729b12fc
Source of Spectrum G4-61-1399-2
Synonyms (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-10,12,14,16,23-pentahydroxy-6,10,19-trimethyl-13-[(2-methylbutanoyl)oxy]-24-oxa-4-azaheptacyclo[12.12.0.0(2,11).0(4,9).0(15,25).0(18,23).0(19,25)]hexacos-22-yl 3,4-dimethoxybenzoate 15-O-(2'-Methylbutyroyl)-3-O-Veratroylgermine
Wiley ID 1607524