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Antrodioxolanone
SpectraBase Compound ID 6WGVo8wdtmi
InChI InChI=1S/C29H32O9/c1-17-19(21(31-5)15-23(33-7)25(17)35-9)11-13-28(3)29(4,38-27(30)37-28)14-12-20-18(2)26(36-10)24(34-8)16-22(20)32-6/h15-16H,1-10H3/t28-,29+
InChIKey NJECTZSLZHQUFD-ISILISOKSA-N
Mol Weight 524.6 g/mol
Molecular Formula C29H32O9
Exact Mass 524.204633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RLo4vPkoJl
Name Antrodioxolanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H32O9
InChI InChI=1S/C29H32O9/c1-17-19(21(31-5)15-23(33-7)25(17)35-9)11-13-28(3)29(4,38-27(30)37-28)14-12-20-18(2)26(36-10)24(34-8)16-22(20)32-6/h15-16H,1-10H3/t28-,29+
InChIKey NJECTZSLZHQUFD-ISILISOKSA-N
Molecular Weight 524.566 g/mol
SMILES C(#C[C@]1([C@@](C#Cc2c(c(OC)c(cc2OC)OC)C)(OC(O1)=O)C)C)c1c(c(OC)c(cc1OC)OC)C
SPLASH splash10-0a4j-0090000000-7d0084bd4aa3d455706c
Source of Spectrum G4-70-992-4
Synonyms (4S,5R)-4,5-dimethyl-4,5-bis[2-(3,4,6-trimethoxy-2-methylphenyl)ethynyl]-1,3-dioxolan-2-one
Wiley ID 1694761