Spektraris NMR
Acetylation of yopaaoside A
Common Name: Acetylation of yopaaoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H28O15/c1-36-13-5-9(3-4-12(13)29)17(30)10-6-27(42-24(10)35)16-15(21-22(27)40-21)11(23(34)37-2)8-38-25(16)41-26-20(33)19(32)18(31)14(7-28)39-26/h3-6,8,14-16,18-22,25-26,28-29,31-33H,7H2,1-2H3/t14-,15-,16-,18-,19+,20-,21+,22+,25+,26+,27+/m1/s1
InChIKey: InChIKey=KAKHKTCZSFQJKF-BXFJKSMTSA-N
Formula: C27H28O15
Molecular Weight: 592.503284
Exact Mass: 592.14282
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) | 92.7 |
| 3 (CH) | 153.6 |
| 4 (C) | 108.5 |
| 5 (CH) | 33.1 |
| 6 (CH) | 58 |
| 7 (CH) | 59.2 |
| 8 (C) | 92.7 |
| 9 (CH) | 44.2 |
| 10 (CH) | 156.2 |
| 11 (C) | 167.8 |
| 1' (CH) | 99.6 |
| 2' (CH) | 74.4 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.7 |
| 1'' (C) | 129.1 |
| 2'' (CH) | 113 |
| 3'' (C) | 149.2 |
| 4'' (C) | 154.8 |
| 5'' (CH) | 116.2 |
| 6'' (CH) | 126.8 |
| 7'' (C) | 187.7 |
| 8'' (C) | 133.9 |
| 9'' (C) | 169.3 |
| 11a (CH3) | 52.1 |
| 3''a (CH3) | 56.5 |
