Spektraris NMR
19-Hydroxyingol-12,19-diacetate-8-tiglate
Common Name: 19-Hydroxyingol-12,19-diacetate-8-tiglate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H40O10/c1-9-13(2)26(35)38-23-20-19(27(20,8)12-36-17(6)30)22(37-18(7)31)16(5)25(34)29-11-15(4)24(33)28(29,39-29)10-14(3)21(23)32/h9-10,15-16,19-24,32-33H,11-12H2,1-8H3/b13-9+,14-10+/t15-,16+,19-,20+,21+,22+,23-,24-,27+,28-,29-/m0/s1
InChIKey: InChIKey=ZZNYOAXIYQEEOL-WOWRKJPKSA-N
Formula: C29H40O10
Molecular Weight: 548.62302
Exact Mass: 548.262148
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) | 31.8 |
| 2 (CH) | 31.7 |
| 3 (CH) | 76.3 |
| 4 (C) | 76 |
| 5 (CH) | 117 |
| 6 (C) | 141.7 |
| 7 (CH) | 75.9 |
| 8 (CH) | 73.4 |
| 9 (CH) | 23.9 |
| 10 (C) | 21.9 |
| 11 (CH) | 31.3 |
| 12 (CH) | 69.5 |
| 13 (CH) | 43.3 |
| 14 (C) | 207.6 |
| 15 (C) | 72.7 |
| 16 (CH3) | 16.1 |
| 17 (CH3) | 17.5 |
| 18 (CH3) | 24.4 |
| 19 (CH2) | 64.8 |
| 20 (CH3) | 13.4 |
| 8a (C) | 167.3 |
| 8b (C) | 138.8 |
| 8c (CH) | 128.2 |
| 8d (CH3) | 14.6 |
| 8ba (CH3) | 12.1 |
| 12a (C) | 170.6 |
| 12b (CH3) | 21.1 |
| 19a (C) | 170.4 |
| 19b (CH3) | 20.6 |
