Spektraris NMR
10-O-Acetylmonotropein
Common Name: 10-O-Acetylmonotropein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O12/c1-7(20)28-6-18(26)3-2-8-9(15(24)25)5-27-16(11(8)18)30-17-14(23)13(22)12(21)10(4-19)29-17/h2-3,5,8,10-14,16-17,19,21-23,26H,4,6H2,1H3,(H,24,25)/t8-,10-,11-,12-,13+,14-,16+,17+,18+/m1/s1
InChIKey: InChIKey=GGTOQZXEDWBWCF-MNIQVYHASA-N
Formula: C18H24O12
Molecular Weight: 432.376683
Exact Mass: 432.126776
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kanchanapoom, T., Kasai, R., Yamasaki, K. Phytochemistry (2002) 59, 551-6
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 94.7 |
| 3 (CH) | 152.4 |
| 4 (C) | 111 |
| 5 (CH) | 39 |
| 6 (CH) | 138.2 |
| 7 (CH) | 132.7 |
| 8 (C) | 84.1 |
| 9 (CH) | 46.5 |
| 10 (CH2) | 70.6 |
| 11 (C) | 170.1 |
| 1' (CH) | 99.8 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78 |
| 4' (CH) | 71.4 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.5 |
| 10a (C) | 172.8 |
| 10b (CH3) | 20.8 |
