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Evonine, O1,O2,O9,O15-tetradeacetyl-8-deoxo-8-hydroxy-, 9-[2-(acetyloxy)-2-methylpropanoate], (8.alpha.)-
SpectraBase Compound ID GysjzqhgxXs
InChI InChI=1S/C34H45NO16/c1-14-15(2)27(42)48-25-22(40)23(41)33(12-36)26(49-29(44)30(5,6)50-17(4)38)21(39)19-24(47-16(3)37)34(33,32(25,8)45)51-31(19,7)13-46-28(43)18-10-9-11-35-20(14)18/h9-11,14-15,19,21-26,36,39-41,45H,12-13H2,1-8H3/t14?,15?,19-,21+,22?,23?,24?,25+,26-,31?,32?,33+,34+/m0/s1
InChIKey ARONWVCQDWTRRG-UHFFFAOYSA-N
Mol Weight 723.7 g/mol
Molecular Formula C34H45NO16
Exact Mass 723.273834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75bTSQo6fcF
Name Evonine, O1,O2,O9,O15-tetradeacetyl-8-deoxo-8-hydroxy-, 9-[2-(acetyloxy)-2-methylpropanoate], (8.alpha.)-
CAS Registry Number 73257-64-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H45NO16
InChI InChI=1S/C34H45NO16/c1-14-15(2)27(42)48-25-22(40)23(41)33(12-36)26(49-29(44)30(5,6)50-17(4)38)21(39)19-24(47-16(3)37)34(33,32(25,8)45)51-31(19,7)13-46-28(43)18-10-9-11-35-20(14)18/h9-11,14-15,19,21-26,36,39-41,45H,12-13H2,1-8H3/t14?,15?,19-,21+,22?,23?,24?,25+,26-,31?,32?,33+,34+/m0/s1
InChIKey ARONWVCQDWTRRG-UHFFFAOYSA-N
Molecular Weight 723.725 g/mol
SMILES OC1([C@@]23[C@@]4(CO)[C@]([C@@]([C@](C(COC(c5c(C(C(C(O[C@@]1(C(O)C4O)[H])=O)C)C)nccc5)=O)(O3)C)(C2OC(=O)C)[H])(O)[H])(OC(C(OC(=O)C)(C)C)=O)[H])C
SPLASH splash10-001i-0092365500-651fa0fb36ce5bb9d95d
Source of Spectrum KC-1979-2981-0
Synonyms 24-(acetyloxy)-18,19,22,25-tetrahydroxy-20-(hydroxymethyl)-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. 9-(2-Acetoxy-2-methylpropionyl)-6-acetylevonyminyl ester of evonic acid
Wiley ID 1415717