Spektraris NMR
Parvisoliside
Common Name: Parvisoliside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O11/c1-10-11-6-12(36-22-17(31)16(30)15(29)13(8-27)37-22)18-24-9-35-26(34,25(18,7-11)20(10)32)21(33)19(24)23(2,3)5-4-14(24)28/h11-22,27-34H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15-,16+,17-,18+,19-,20-,21+,22-,24+,25+,26+/m1/s1
InChIKey: InChIKey=AEHSHPSACZNIDN-YNQBKHSESA-N
Formula: C26H40O11
Molecular Weight: 528.590218
Exact Mass: 528.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, W.W., Li, B.G., Chen, Y.Z. Phytochemistry (1998) 49, 2433-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 74.8 |
| 2 (CH2) | 30.5 |
| 3 (CH2) | 39.4 |
| 4 (C) | 34.1 |
| 5 (CH) | 59.2 |
| 6 (CH) | 74.8 |
| 7 (C) | 97.1 |
| 8 (C) | 53.2 |
| 9 (CH) | 48.7 |
| 10 (C) | 41.8 |
| 11 (CH) | 70.7 |
| 12 (CH2) | 41 |
| 13 (CH) | 37.6 |
| 14 (CH2) | 28.6 |
| 15 (CH) | 75.5 |
| 16 (C) | 161.1 |
| 17 (CH2) | 106.4 |
| 18 (CH3) | 32.8 |
| 19 (CH3) | 22.2 |
| 20 (CH2) | 64.7 |
| 1' (CH) | 104.5 |
| 2' (CH) | 74.8 |
| 3' (CH) | 79.2 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.7 |
