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Evonine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Evonine
SpectraBase Compound ID HbMEWL2Gk5x
InChI InChI=1S/C36H43NO17/c1-15-16(2)30(43)53-26-22(32(45)47-9)27(50-18(4)39)35(14-48-17(3)38)29(52-20(6)41)25(42)23-28(51-19(5)40)36(35,34(26,8)46)54-33(23,7)13-49-31(44)21-11-10-12-37-24(15)21/h10-12,15-16,22-23,26-29,46H,13-14H2,1-9H3/t15-,16-,22-,23-,26-,27-,28+,29+,33-,34-,35-,36-/m0/s1
InChIKey FXOSIRWZCOHPDW-CULSSINFSA-N
Mol Weight 761.7 g/mol
Molecular Formula C36H43NO17
Exact Mass 761.253099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BcSlbffEt6
Name Evonine
CAS Registry Number 33458-64-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H43NO17
InChI InChI=1S/C36H43NO17/c1-15-16(2)30(43)53-26-22(32(45)47-9)27(50-18(4)39)35(14-48-17(3)38)29(52-20(6)41)25(42)23-28(51-19(5)40)36(35,34(26,8)46)54-33(23,7)13-49-31(44)21-11-10-12-37-24(15)21/h10-12,15-16,22-23,26-29,46H,13-14H2,1-9H3/t15-,16-,22-,23-,26-,27-,28+,29+,33-,34-,35-,36-/m0/s1
InChIKey FXOSIRWZCOHPDW-CULSSINFSA-N
Molecular Weight 761.730 g/mol
SMILES O[C@@]1([C@@]23[C@@]4([C@](OC(=O)C)(C([C@]([C@]3(OC(=O)C)[H])([H])[C@@](O2)(COC(c2c(nccc2)[C@]([C@@](C(O[C@]1([C@](C(=O)OC)([C@@]4(OC(=O)C)[H])[H])[H])=O)(C)[H])(C)[H])=O)C)=O)[H])COC(=O)C)C
SPLASH splash10-0bt9-0910000300-97ae13c50856872af79a
Source of Spectrum W-0-810-24
Synonyms 8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine, evonine deriv. 8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17,22-trione, 10,13,14,21-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl- 8,11-Epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17,22-trione, 10,13,14,21-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-, (8R,9R,10R,11S,12S,13R,14R,15S,18S,19S,20S,21S)- Stereoisomer of 10,13,14,21-tetrakis(acetyloxy)-12-[(acetyloxy)methyl]-7,8,9,10,12,13,14,15,18,19-decahydro-20-hydroxy-8,18,19,20-tetramethyl-8,11-epoxy-9,12-ethano-11,15-methano-11H-[1,8]dioxacycloheptadecino[4,3-b]pyridine-5,17,22-trione AIDS-088956 NSC 301491
Wiley ID 754257