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Evonine, 8-(acetyloxy)-O2,O9,O15-trideacetyl-8-deoxo-, 9-(2-hydroxy-2-methylpropanoate), (8.alpha.)-
SpectraBase Compound ID 51HJCd1a1oE
InChI InChI=1S/C36H47NO17/c1-15-16(2)29(44)51-27-24(42)25(43)35(14-48-17(3)38)28(52-31(46)32(6,7)53-19(5)40)23(41)21-26(50-18(4)39)36(35,34(27,9)47)54-33(21,8)13-49-30(45)20-11-10-12-37-22(15)20/h10-12,15-16,21,23-28,41-43,47H,13-14H2,1-9H3/t15?,16?,21-,23?,24-,25+,26-,27-,28-,33+,34+,35+,36+/m1/s1
InChIKey XSWDUVPFSRAMCL-UHFFFAOYSA-N
Mol Weight 765.8 g/mol
Molecular Formula C36H47NO17
Exact Mass 765.284399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOphEN0sChA
Name Evonine, 8-(acetyloxy)-O2,O9,O15-trideacetyl-8-deoxo-, 9-(2-hydroxy-2-methylpropanoate), (8.alpha.)-
CAS Registry Number 68419-30-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H47NO17
InChI InChI=1S/C36H47NO17/c1-15-16(2)29(44)51-27-24(42)25(43)35(14-48-17(3)38)28(52-31(46)32(6,7)53-19(5)40)23(41)21-26(50-18(4)39)36(35,34(27,9)47)54-33(21,8)13-49-30(45)20-11-10-12-37-22(15)20/h10-12,15-16,21,23-28,41-43,47H,13-14H2,1-9H3/t15?,16?,21-,23?,24-,25+,26-,27-,28-,33+,34+,35+,36+/m1/s1
InChIKey XSWDUVPFSRAMCL-UHFFFAOYSA-N
Molecular Weight 765.762 g/mol
SMILES O[C@@]1([C@]23[C@]4([C@]([C@]([C@]1(OC(C(C(C)c1c(C(OC[C@@](O3)(C)[C@@]([C@]2(OC(=O)C)[H])(C(O)[C@]4(OC(C(OC(=O)C)(C)C)=O)[H])[H])=O)cccn1)C)=O)[H])(O)[H])(O)[H])COC(=O)C)C
SPLASH splash10-014i-0011014900-75220820b247e3e30e45
Source of Spectrum KC-1979-2981-0
Synonyms 24-(acetyloxy)-20-[(acetyloxy)methyl]-18,19,22,25-tetrahydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.0(1,20).0(3,23).0(7,12)]pentacosa-7,9,11-trien-21-yl 2-(acetyloxy)-2-methylpropanoate 8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine, evonine deriv. Cathedulin k15 Catheduline K 15
Wiley ID 1416620