Spektraris NMR
Hydrangenoside E
Common Name: Hydrangenoside E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O12/c1-3-20-21(12-19-11-17(32)10-18(39-19)9-6-15-4-7-16(31)8-5-15)22(27(36)37-2)14-38-28(20)41-29-26(35)25(34)24(33)23(13-30)40-29/h3-5,7-8,14,17-21,23-26,28-35H,1,6,9-13H2,2H3/t17-,18-,19-,20+,21-,23+,24+,25-,26+,28-,29-/m0/s1
InChIKey: InChIKey=SYCAAOWPYJBQKF-LBSDZYGWSA-N
Formula: C29H40O12
Molecular Weight: 580.62183
Exact Mass: 580.251977
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) | 152.9 |
| 4 (C) | 112 |
| 5 (CH) | 28.3 |
| 6 (CH2) | 35.7 |
| 7 (CH) | 69.9 |
| 8 (CH) | 135.4 |
| 9 (CH) | 44.6 |
| 10 (CH2) | 120 |
| 11 (C) | 169.5 |
| 1' (CH) | 99.9 |
| 2' (CH) | 74.6 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.5 |
| 5' (CH) | 77.9 |
| 6' (CH2) | 62.9 |
| 7a (CH2) | 39.1 |
| 7b (CH) | 65.3 |
| 7c (CH2) | 40.2 |
| 7d (CH) | 71.7 |
| 7e (CH2) | 39.6 |
| 7f (CH2) | 31.6 |
| 7g (C) | 134.4 |
| 7h (CH) | 130.6 |
| 7i (CH) | 116.2 |
| 7j (C) | 156.1 |
| 7k (CH) | 116.2 |
| 7l (CH) | 130.6 |
| 11a (CH3) | 51.7 |
