Spektraris NMR
Tectoroside
Common Name: Tectoroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O12/c1-12-8-20(39-29(38)18(33)9-15-4-6-16(32)7-5-15)23-14(3)28(37)42-27(23)22-13(2)19(10-17(12)22)40-30-26(36)25(35)24(34)21(11-31)41-30/h4-7,17-27,30-36H,1-3,8-11H2/t17-,18?,19-,20+,21+,22-,23+,24+,25-,26+,27+,30+/m0/s1
InChIKey: InChIKey=MAHPANYZARJSAV-UFGGAHBWSA-N
Formula: C30H36O12
Molecular Weight: 588.600803
Exact Mass: 588.220677
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Fontanel, D., Galtier, C., Debouzy, J.C., Gueiffier, A., Viel, C. Phytochemistry (1999) 51, 999-1004
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 46.6 |
| 2 (CH2) | 36.1 |
| 3 (CH) | 79.2 |
| 4 (C) | 148.7 |
| 5 (CH) | 53.2 |
| 6 (CH) | 78.5 |
| 7 (CH) | 46.7 |
| 8 (CH) | 74.2 |
| 9 (CH2) | 37.7 |
| 10 (C) | 143 |
| 11 (C) | 138.5 |
| 12 (C) | 170 |
| 13 (CH2) | 121.4 |
| 14 (CH2) | 117.5 |
| 15 (CH2) | 115.3 |
| 1' (CH) | 100.6 |
| 2' (CH) | 75 |
| 3' (CH) | 76.9 |
| 4' (CH) | 70.8 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 61.8 |
| 8a (C) | 173.4 |
| 8b (CH) | 73.1 |
| 8c (CH2) | 39.6 |
| 8d (C) | 127.9 |
| 8e (CH) | 130.6 |
| 8f (CH) | 115.3 |
| 8g (C) | 156.5 |
| 8h (CH) | 115.3 |
| 8i (CH) | 130.6 |
