Spektraris NMR
Ingol-3,12-diacetate-7,8-ditigliate
Common Name: Ingol-3,12-diacetate-7,8-ditigliate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O10/c1-12-16(3)30(38)42-25-18(5)14-34-29(41-22(9)36)19(6)15-33(34,44-34)28(37)20(7)26(40-21(8)35)23-24(32(23,10)11)27(25)43-31(39)17(4)13-2/h12-14,19-20,23-27,29H,15H2,1-11H3/b16-12+,17-13+,18-14+/t19-,20+,23-,24+,25+,26+,27-,29-,33-,34-/m0/s1
InChIKey: InChIKey=VZKCPXCNDQAJFG-KKQUAPKMSA-N
Formula: C34H46O10
Molecular Weight: 614.724344
Exact Mass: 614.309098
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., Sanz-Cervera, J.F., Ropero, F.J., Checa, J., Fraga, B.M. Phytochemistry (1998) 49, 1095-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lathyranes; 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) | 31.5 |
| 2 (CH) | 29.5 |
| 3 (CH) | 76.7 |
| 4 (C) | 73.4 |
| 5 (CH) | 116.5 |
| 6 (C) | 140.2 |
| 7 (CH) | 76.7 |
| 8 (CH) | 71.6 |
| 9 (CH) | 25.2 |
| 10 (C) | 19.3 |
| 11 (CH) | 30.8 |
| 12 (CH) | 70.7 |
| 13 (CH) | 43.2 |
| 14 (C) | 207.7 |
| 15 (C) | 71.1 |
| 16 (CH3) | 17 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 29.3 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 13.4 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21 |
| 7a (C) | 167.1 |
| 7b (C) | 137.9 |
| 7c (CH) | 128.5 |
| 7d (CH3) | 14.5 |
| 7ba (CH3) | 12.2 |
| 8a (C) | 166.5 |
| 8b (C) | 137.7 |
| 8c (CH) | 128.2 |
| 8d (CH3) | 14.4 |
| 8ba (CH3) | 11.9 |
| 12a (C) | 170.4 |
| 12b (CH3) | 20.6 |
