Spektraris NMR
6¥-acetylmeoandrographolide
Common Name: 6¥-acetylmeoandrographolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O9/c1-16-6-9-21-27(3,11-5-12-28(21,4)19(16)8-7-18-10-13-34-25(18)33)15-36-26-24(32)23(31)22(30)20(37-26)14-35-17(2)29/h10,19-24,26,30-32H,1,5-9,11-15H2,2-4H3/t19-,20-,21-,22-,23+,24-,26-,27+,28+/m1/s1
InChIKey: InChIKey=LIIMOJLTWWSQGN-HDWGBIQKSA-N
Formula: C28H42O9
Molecular Weight: 522.628761
Exact Mass: 522.282883
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Matsuda, T., Kuroyanagi, M., Sugiyama, S., Umehara, K., Ueno, A., Nishi, K. Chem Pharm Bull (1994) 42, 1216-25
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 39 |
| 2 (CH2) | 19.2 |
| 3 (CH2) | 36.1 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 24.6 |
| 7 (CH2) | 38.7 |
| 8 (C) | 148.1 |
| 9 (CH) | 56.6 |
| 10 (C) | 38.5 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 25 |
| 13 (C) | 134.1 |
| 14 (CH) | 145.3 |
| 15 (CH2) | 70.5 |
| 16 (C) | 174.6 |
| 17 (CH2) | 107 |
| 18 (CH3) | 27.9 |
| 19 (CH2) | 72 |
| 20 (CH3) | 15.5 |
| 1' (CH) | 104.8 |
| 2' (CH) | 75 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.6 |
| 5' (CH) | 75.1 |
| 6' (CH2) | 64.8 |
| 6'a (C) | 170.7 |
| 6'b (CH3) | 20.7 |
