Spektraris NMR
2,3-Diepiingol-7,12-diacetate-8-benzoate
Common Name: 2,3-Diepiingol-7,12-diacetate-8-benzoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H38O9/c1-15-13-30-26(34)16(2)14-31(30,40-30)27(35)17(3)24(38-19(5)33)21-22(29(21,6)7)25(23(15)37-18(4)32)39-28(36)20-11-9-8-10-12-20/h8-13,16-17,21-26,34H,14H2,1-7H3/b15-13+/t16-,17-,21+,22-,23+,24-,25+,26-,30+,31+/m1/s1
InChIKey: InChIKey=LUZIRMMIUVNGNO-WTEOAFJMSA-N
Formula: C31H38O9
Molecular Weight: 554.629206
Exact Mass: 554.251583
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., Sanz Cervera, J.F., Yuste, A. Phytochemistry (1997) 45, 563-70
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) | 32.1 |
| 2 (CH) | 33 |
| 3 (CH) | 76.4 |
| 4 (C) | 72.5 |
| 5 (CH) | 116.8 |
| 6 (C) | 137.4 |
| 7 (CH) | 77.3 |
| 8 (CH) | 72.1 |
| 9 (CH) | 24.7 |
| 10 (C) | 19.3 |
| 11 (CH) | 30.7 |
| 12 (CH) | 70.7 |
| 13 (CH) | 43.2 |
| 14 (C) | 207.8 |
| 15 (C) | 73.1 |
| 16 (CH3) | 12 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 29.1 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 13.3 |
| 7a (C) | 170.5 |
| 7b (CH3) | 21 |
| 8a (C) | 165.8 |
| 8b (C) | 133.2 |
| 8c (CH) | 129.5 |
| 8d (CH) | 129.7 |
| 8e (CH) | 128.4 |
| 8f (CH) | 129.7 |
| 8g (CH) | 129.5 |
| 12a (C) | 169.9 |
| 12b (CH3) | 20.9 |
