Spektraris NMR
Capsianoside V Methyl Ester
Common Name: Capsianoside V Methyl Ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H44O10/c1-6-27(4,37-26-24(33)23(32)22(31)21(16-29)36-26)12-8-11-19(15-28)10-7-9-17(2)13-20(30)14-18(3)25(34)35-5/h6,9,11,14,20-24,26,28-33H,1,7-8,10,12-13,15-16H2,2-5H3/b17-9+,18-14+,19-11-/t20?,21-,22-,23+,24-,26+,27-/m1/s1
InChIKey: InChIKey=ZVUKZMWLRYNENB-RKJLFWSHSA-N
Formula: C27H44O10
Molecular Weight: 528.633312
Exact Mass: 528.293448
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, J.H., Kiyota, N., Ikeda, T., Nohara, T. Chem Pharm Bull (2008) 56, 582-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 115.7 |
| 2 (CH) | 144.5 |
| 3 (C) | 81.3 |
| 4 (CH2) | 42.9 |
| 5 (CH2) | 23.2 |
| 6 (CH) | 129.3 |
| 7 (C) | 139.4 |
| 8 (CH2) | 35.8 |
| 9 (CH2) | 27.8 |
| 10 (CH) | 129.4 |
| 11 (C) | 132.1 |
| 12 (CH2) | 48 |
| 13 (CH) | 67.9 |
| 14 (CH) | 141.2 |
| 15 (C) | 131.9 |
| 16 (C) | 170.1 |
| 17 (CH3) | 13.1 |
| 18 (CH3) | 16.8 |
| 19 (CH2) | 60 |
| 20 (CH3) | 23.6 |
| 1' (CH) | 99.6 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.9 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 62.9 |
| 16a (CH3) | 52.1 |
