Spektraris NMR
Adinoside E
Common Name: Adinoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O20/c1-4-12-14(6-20(35)36)16(28(43)45-3)9-47-30(12)53-33-27(42)25(40)23(38)19(50-33)11-46-21-7-15-13(5-2)31(48-10-17(15)29(44)51-21)52-32-26(41)24(39)22(37)18(8-34)49-32/h4-5,9-10,12-15,18-19,21-27,30-34,37-42H,1-2,6-8,11H2,3H3,(H,35,36)/t12-,13-,14+,15+,18+,19-,21-,22+,23-,24-,25+,26+,27-,30+,31+,32-,33+/m1/s1
InChIKey: InChIKey=ZWGHYMXWGJTBGB-CQTALDMDSA-N
Formula: C33H44O20
Molecular Weight: 760.691776
Exact Mass: 760.242594
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Itoh, A., Fujii, K., Tomatsu, S., Takao, C., Tanahashi, T., Nagakura, N., Chen, C.C. J Nat Prod (2003) 66, 1212-6
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) | 97.9 |
| 3 (CH) | 153.3 |
| 4 (C) | 110.6 |
| 5 (CH) | 28.8 |
| 6 (CH2) | 36.1 |
| 7 (C) | 177.4 |
| 8 (CH) | 134.6 |
| 9 (CH) | 45.2 |
| 10 (CH2) | 120.7 |
| 11 (C) | 168.9 |
| 1' (CH) | 100.2 |
| 2' (CH) | 74.5 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.6 |
| 5' (CH) | 77.1 |
| 6' (CH2) | 70.5 |
| 1'' (CH) | 97.9 |
| 3'' (CH) | 154.1 |
| 4'' (C) | 105.1 |
| 5'' (CH) | 25.3 |
| 6'' (CH2) | 31.7 |
| 7'' (CH) | 105.2 |
| 8'' (CH) | 133 |
| 9'' (CH) | 43.8 |
| 10'' (CH2) | 121.2 |
| 11'' (C) | 167.6 |
| 2''' (CH) | 99.7 |
| 3''' (CH) | 74.6 |
| 4''' (CH) | 78 |
| 5''' (CH) | 71.8 |
| 6''' (CH) | 78.4 |
| 7''' (CH2) | 62.7 |
| 11a (CH3) | 51.6 |
