Spektraris NMR
Hydrachoside A
Common Name: Hydrachoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O12/c1-3-17-18(10-16-8-15(30)9-20(37-16)13-4-6-14(29)7-5-13)19(25(34)35-2)12-36-26(17)39-27-24(33)23(32)22(31)21(11-28)38-27/h3-7,12,16-18,20-24,26-29,31-33H,1,8-11H2,2H3/t16-,17-,18+,20-,21-,22-,23+,24-,26+,27+/m1/s1
InChIKey: InChIKey=CWRAQHOZLCMDKY-HYABSHDUSA-N
Formula: C27H34O12
Molecular Weight: 550.552714
Exact Mass: 550.205027
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chang, F.R., Lee, Y.H., Yang, Y.L., Hsieh, P.W., Khalil, A.T., Chen, C.Y., Wu, Y.C. J Nat Prod (2003) 66, 1245-8
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) | 153.5 |
| 4 (C) | 112 |
| 5 (CH) | 29.9 |
| 6 (CH2) | 36 |
| 7 (CH) | 71.6 |
| 8 (CH) | 135.7 |
| 9 (CH) | 45.9 |
| 10 (CH2) | 120 |
| 11 (C) | 169.2 |
| 1' (CH) | 100.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.5 |
| 4' (CH) | 72.1 |
| 5' (CH) | 78 |
| 6' (CH2) | 62.8 |
| 7a (CH2) | 31.7 |
| 7b (C) | 210.3 |
| 7c (CH2) | 37.1 |
| 7d (CH) | 72.7 |
| 7e (C) | 133.6 |
| 7f (CH) | 130.5 |
| 7g (CH) | 116.2 |
| 7h (C) | 156.5 |
| 7i (CH) | 116.2 |
| 7j (CH) | 130.5 |
| 11a (CH3) | 51.7 |
