| SpectraBase Spectrum ID |
1M1LXwvR3Pp |
| Name |
14-angeloyloxy-11.alpha.-hydroxy-O-methyl-1,2,3,4-tetrahydrocacalolide |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O6 |
| InChI |
InChI=1S/C21H22O6/c1-6-11(2)19(22)26-10-14-15-12(3)8-7-9-13(15)17(25-5)18-16(14)21(4,24)20(23)27-18/h6-9,24H,10H2,1-5H3/b11-6-/t21-/m1/s1 |
| InChIKey |
PHJXJLUAXVXKCQ-JLXOPUERSA-N |
| Instrument Name |
HP 5988A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np1004505 |
| Molecular Weight |
370.401 g/mol |
| Optical Rotation |
[a]D20 = -33 (c = 0.05, CHCl3) |
| Reported Formula |
C21H22O6 |
| SMILES |
O[C@]1(C(Oc2c(c3cccc(c3c(c12)COC(\C(C)=C/C)=O)C)OC)=O)C |
| SPLASH |
splash10-055f-9130000000-a5f3255a6ca0668fb90b |
| Source of Spectrum |
G4-73-1956-Compound 5 |
| Wiley ID |
1848894 |
