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VERUSSIRINE;7-O-ACETYL-15-O-(2-METHYLBUTYROYL)-3-O-VERATROYLGERMINE
SpectraBase Compound ID IcmsMHNzKlw
InChI InChI=1S/C43H61NO13/c1-9-22(3)37(47)56-36-34(46)33-25(20-44-19-21(2)10-13-31(44)40(33,6)49)26-18-41-35(42(26,36)50)29(54-23(4)45)17-30-39(41,5)15-14-32(43(30,51)57-41)55-38(48)24-11-12-27(52-7)28(16-24)53-8/h11-12,16,21-22,25-26,29-36,46,49-51H,9-10,13-15,17-20H2,1-8H3/t21-,22?,25-,26-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40+,41+,42-,43-/m0/s1
InChIKey MHQPNCBMPCWYOY-BXFKSJAZSA-N
Mol Weight 800.0 g/mol
Molecular Formula C43H61NO13
Exact Mass 799.414291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVKblZ5N7lA
Name Verussurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H61NO13
InChI InChI=1S/C43H61NO13/c1-9-22(3)37(47)56-36-34(46)33-25(20-44-19-21(2)10-13-31(44)40(33,6)49)26-18-41-35(42(26,36)50)29(54-23(4)45)17-30-39(41,5)15-14-32(43(30,51)57-41)55-38(48)24-11-12-27(52-7)28(16-24)53-8/h11-12,16,21-22,25-26,29-36,46,49-51H,9-10,13-15,17-20H2,1-8H3/t21-,22?,25-,26-,29+,30-,31-,32-,33+,34+,35+,36-,39-,40+,41+,42-,43-/m0/s1
InChIKey MHQPNCBMPCWYOY-BXFKSJAZSA-N
Molecular Weight 799.955 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])(OC(=O)C)[H])[H])[H])(CN1[C@]([C@]2(O)C)(CC[C@@](C1)(C)[H])[H])[H])[H])[H]
SPLASH splash10-03z9-0910000000-4b3822445de16a57313f
Source of Spectrum G4-61-1399-1
Synonyms (1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-16-(acetyloxy)-10,12,14,23-tetrahydroxy-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 7-[O-Acetyl]-15-O-(2'-methylbutyroyl)-3-O-Veratroylgermine
Wiley ID 1607525