Spektraris NMR
13-Isovaleroyl-7-malonyloxy-thyrsiflorane
Common Name: 13-Isovaleroyl-7-malonyloxy-thyrsiflorane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O6/c1-18(2)13-24(31)35-22-14-19-20(34-25(32)16-23(30)33-7)15-21-26(3,4)9-8-10-28(21,6)29(19)12-11-27(22,5)17-29/h18-22H,8-17H2,1-7H3/t19-,20+,21+,22-,27+,28+,29+/m1/s1
InChIKey: InChIKey=FFQBXFZSHIDYSL-BHPHDZIUSA-N
Formula: C29H46O6
Molecular Weight: 490.673045
Exact Mass: 490.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chamy, M.C., Piovano, M., Garbarino, J.A., Vargas, C. Phytochemistry (1995) 40, 1751-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Thyrsifloranes; 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) | 32.4 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.3 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 28 |
| 7 (CH) | 77 |
| 8 (CH) | 41.8 |
| 9 (C) | 53.5 |
| 10 (C) | 38.9 |
| 11 (CH2) | 44.7 |
| 12 (C) | 43.2 |
| 13 (CH) | 77.8 |
| 14 (CH2) | 30.6 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 26 |
| 17 (CH3) | 23.1 |
| 18 (CH3) | 33.7 |
| 19 (CH3) | 22.2 |
| 20 (CH3) | 17.7 |
| 7a (C) | 166.6 |
| 7b (CH2) | 41.9 |
| 7c (C) | 167 |
| 7d (CH3) | 53.3 |
| 13a (C) | 172.8 |
| 13b (CH2) | 43.9 |
| 13c (CH) | 25.2 |
| 13d (CH3) | 22.5 |
| 13e (CH3) | 20.1 |
