Spektraris NMR
1a,3a,7a-triacetoxy-21-hydroxy-24,25,26,27-tetranor-apotirucalla-14,20(22)-dien-23,21-olide
Common Name: 1a,3a,7a-triacetoxy-21-hydroxy-24,25,26,27-tetranor-apotirucalla-14,20(22)-dien-23,21-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O9/c1-16(33)38-24-15-26(40-18(3)35)32(8)22-11-12-30(6)20(19-13-27(36)41-28(19)37)9-10-21(30)31(22,7)25(39-17(2)34)14-23(32)29(24,4)5/h10,13,20,22-26,28,37H,9,11-12,14-15H2,1-8H3/t20-,22-,23-,24+,25+,26-,28+,30-,31-,32+/m0/s1
InChIKey: InChIKey=MDQUFNTVPFAZDI-MEZLHGDWSA-N
Formula: C32H44O9
Molecular Weight: 572.687586
Exact Mass: 572.298533
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rodriguez, B. Magn Reson Chem (2003) 41, 206-12
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (CH) | 72.64 |
| 2 (CH2) | 25.63 |
| 3 (CH) | 76.17 |
| 4 (C) | 35.97 |
| 5 (CH) | 37.12 |
| 6 (CH2) | 22.85 |
| 7 (CH) | 75.2 |
| 8 (C) | 42.39 |
| 9 (CH) | 35.4 |
| 10 (C) | 40.16 |
| 11 (CH2) | 15.78 |
| 12 (CH2) | 33.63 |
| 13 (C) | 47.36 |
| 14 (C) | 158.5 |
| 15 (CH) | 119.09 |
| 16 (CH2) | 33.22 |
| 17 (CH) | 52.63 |
| 18 (CH3) | 21.29 |
| 19 (CH3) | 15.9 |
| 20 (C) | 169.29 |
| 21 (CH) | 98.71 |
| 22 (CH) | 119.64 |
| 23 (C) | 171.26 |
| 28 (CH3) | 27.4 |
| 29 (CH3) | 21.64 |
| 30 (CH3) | 26.96 |
| 1a (C) | 170.05 |
| 1b (CH3) | 21.09 |
| 3a (C) | 170.22 |
| 3b (CH3) | 21.14 |
| 7a (C) | 170.34 |
| 7b (CH3) | 21.22 |
