Spektraris NMR
2,3-Diepiingol-7,12-diacetate-8-isobutyrate
Common Name: 2,3-Diepiingol-7,12-diacetate-8-isobutyrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H40O9/c1-12(2)25(33)36-22-19-18(26(19,8)9)21(35-17(7)30)15(5)24(32)28-11-14(4)23(31)27(28,37-28)10-13(3)20(22)34-16(6)29/h10,12,14-15,18-23,31H,11H2,1-9H3/b13-10+/t14-,15-,18+,19-,20+,21-,22+,23-,27+,28+/m1/s1
InChIKey: InChIKey=UJAMOVYUNVNYEM-CNZSIGTQSA-N
Formula: C28H40O9
Molecular Weight: 520.61288
Exact Mass: 520.267233
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Marco, J.A., SanzCervera, 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) | 32.9 |
| 3 (CH) | 76.6 |
| 4 (C) | 72.4 |
| 5 (CH) | 116.6 |
| 6 (C) | 137.6 |
| 7 (CH) | 76.7 |
| 8 (CH) | 71.4 |
| 9 (CH) | 24.6 |
| 10 (C) | 19.2 |
| 11 (CH) | 30.6 |
| 12 (CH) | 70.7 |
| 13 (CH) | 43.1 |
| 14 (C) | 207.6 |
| 15 (C) | 73.1 |
| 16 (CH3) | 12 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 29.1 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 13.3 |
| 7a (C) | 170.4 |
| 7b (CH3) | 21.1 |
| 8a (C) | 176.3 |
| 8b (CH) | 33.9 |
| 8c (CH3) | 18.8 |
| 8ba (CH3) | 18.7 |
| 12a (C) | 169.8 |
| 12b (CH3) | 21 |
