| SpectraBase Spectrum ID |
1RLo4vPkoJl |
| Name |
Antrodioxolanone |
| Alternate Name(s) |
(4S,5R)-4,5-dimethyl-4,5-bis[2-(3,4,6-trimethoxy-2-methylphenyl)ethynyl]-1,3-dioxolan-2-one |
| 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 |
| Wiley ID |
1694761 |
