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/C28H38O10/c1-12-10-28-25(37-18(7)32)13(2)11-27(28,38-28)24(33)14(3)22(35-16(5)30)19-20(26(19,8)9)23(36-17(6)31)21(12)34-15(4)29/h10,13-14,19-23,25H,11H2,1-9H3/b12-10+/t13-,14-,19+,20-,21+,22-,23+,25-,27+,28+/m1/s1
InChIKey: InChIKey=OELNYBPMAKRSFQ-VFQCSGHXSA-N
Formula: C28H38O10
Molecular Weight: 534.596403
Exact Mass: 534.246497
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) | 32.7 |
| 2 (CH) | 32.5 |
| 3 (CH) | 77.1 |
| 4 (C) | 70.7 |
| 5 (CH) | 115.4 |
| 6 (C) | 138.8 |
| 7 (CH) | 76.5 |
| 8 (CH) | 71.4 |
| 9 (CH) | 24.5 |
| 10 (C) | 19.2 |
| 11 (CH) | 30.5 |
| 12 (CH) | 70.5 |
| 13 (CH) | 43.3 |
| 14 (C) | 207.3 |
| 15 (C) | 73.1 |
| 16 (CH3) | 12.3 |
| 17 (CH3) | 17.6 |
| 18 (CH3) | 29 |
| 19 (CH3) | 16.1 |
| 20 (CH3) | 13.2 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21 |
| 7a (C) | 170.3 |
| 7b (CH3) | 20.9 |
| 8a (C) | 169.6 |
| 8b (CH3) | 20.9 |
| 12a (C) | 169.2 |
| 12b (CH3) | 20.6 |
