| SpectraBase Spectrum ID |
DmfZ7XLsGzH |
| Name |
(+)-Praeruptorin A |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
24915 |
| Lot Number |
0526601-5 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
73069-27-9 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-6-11(2)20(24)27-19-18(25-12(3)22)16-14(28-21(19,4)5)9-7-13-8-10-15(23)26-17(13)16/h6-10,18-19H,1-5H3/b11-6-/t18-,19-/m0/s1 |
| InChIKey |
XGPBRZDOJDLKOT-NXIDYTHLSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
386.400 g/mol |
| Purity |
≥95% |
| Resolution |
4 |
| SMILES |
C(\C(=C/C)C)(=O)O[C@]1([C@](C=2C(OC1(C)C)=CC=C1C2OC(C=C1)=O)(OC(=O)C)[H])[H] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(2Z)-2-methyl-2-butenoic acid, (9S,10S)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester |
| Technique |
ATR-Neat |
