| SpectraBase Spectrum ID |
4U41uhrH2su |
| Name |
Picrotin |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
21870 |
| Lot Number |
0502617-1 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Triangular |
| CAS Registry Number |
21416-53-5 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H18O7 |
| IUPAC Name |
(1aR,2aR,3S,6R,6aS,8aS,8bR,9S)-Hexahydro-2a-hydroxy-9-(1-hydroxy-1-methylethyl)-8b-methyl-3,6-methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione |
| InChI |
InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7+,8+,9-,13-,14-,15+/m1/s1 |
| InChIKey |
RYEFFICCPKWYML-LTLAFLRWSA-N |
| Instrument Name |
Bio-Rad FTS
|
| SMILES |
O[C@]12[C@@]3([C@@]4(C(O[C@@]3([C@@]3([C@@](C(C)(C)O)([C@]2(C(O3)=O)[H])[H])[H])[H])=O)[C@@](C1)(O4)[H])C |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
ATR-Neat |
