Spektraris NMR
Tinocordioside tetraacetate
Common Name: Tinocordioside tetraacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O13/c1-17(34)40-16-24-27(41-18(2)35)28(42-19(3)36)29(43-20(4)37)31(45-24)46-26-9-7-8-25-32(26,5)12-10-22-30(38)44-23(14-33(22,25)6)21-11-13-39-15-21/h7,9,11,13,15,22-29,31H,8,10,12,14,16H2,1-6H3/t22?,23-,24+,25+,26-,27+,28-,29+,31-,32+,33+/m0/s1
InChIKey: InChIKey=VDVYRLCCIVINOS-DPNHBSDCSA-N
Formula: C33H42O13
Molecular Weight: 646.68006
Exact Mass: 646.262541
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maurya, R., Wazir, V., Tyagi, A., Kapil, R.S. Phytochemistry (1995) 38, 659-61
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 26.1 |
| 2 (CH) | 132.4 |
| 3 (CH) | 130.7 |
| 4 (CH) | 72.3 |
| 5 (C) | 38.4 |
| 6 (CH2) | 29.6 |
| 7 (CH2) | 17.3 |
| 8 (CH) | 47.3 |
| 9 (C) | 35.2 |
| 10 (CH) | 44.3 |
| 11 (CH2) | 41.8 |
| 12 (CH) | 70.6 |
| 13 (C) | 125 |
| 14 (CH) | 108.3 |
| 15 (CH) | 143.9 |
| 16 (CH) | 139.6 |
| 17 (C) | 173.3 |
| 19 (CH3) | 28.2 |
| 20 (CH3) | 24 |
| 1' (CH) | 98 |
| 2' (CH) | 71.8 |
| 3' (CH) | 72.6 |
| 4' (CH) | 68.5 |
| 5' (CH) | 72.9 |
| 6' (CH2) | 62 |
| 2'a (C) | 170.8 |
| 2'b (CH3) | 20.7 |
| 3'a (C) | 170.3 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 169.4 |
| 4'b (CH3) | 20.6 |
| 6'a (C) | 168.7 |
| 6'b (CH3) | 20.7 |
