Spektraris NMR
Turrapubesic acid B
Common Name: Turrapubesic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O10/c1-14(2)26(36)39-24-23(38-16(4)31)22(15(3)30-20(40-30)12-17(25(34)35)29(24,30)8)28(7)11-10-19(32)27(5,6)18(28)13-21(33)37-9/h10-11,14,17-18,20,22-24H,3,12-13H2,1-2,4-9H3,(H,34,35)/t17-,18-,20+,22+,23+,24-,28-,29+,30+/m0/s1
InChIKey: InChIKey=XUQVEMVFVSGBAX-FPPQQUGTSA-N
Formula: C30H40O10
Molecular Weight: 560.633756
Exact Mass: 560.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Yin, S., Fan, C.Q., Lin, L.P., Ding, J., Yue, J.M. Tetrahedron (2007) 63, 8234-41
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) | 152.3 |
| 2 (CH) | 125.7 |
| 3 (C) | 203.9 |
| 4 (C) | 46.1 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 31.3 |
| 7 (C) | 174 |
| 8 (C) | 135.9 |
| 9 (CH) | 52.6 |
| 10 (C) | 42 |
| 11 (CH) | 70.8 |
| 12 (CH) | 73.8 |
| 13 (C) | 46 |
| 14 (C) | 70.8 |
| 15 (CH) | 59.5 |
| 16 (CH2) | 29.8 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 12.9 |
| 19 (CH3) | 21.1 |
| 20 (C) | 177.5 |
| 28 (CH3) | 22.9 |
| 29 (CH3) | 22.6 |
| 30 (CH2) | 121.4 |
| 7a (CH3) | 52 |
| 11a (C) | 169.6 |
| 11b (CH3) | 20.7 |
| 12a (C) | 175.6 |
| 12b (CH) | 33.8 |
| 12c (CH3) | 18.2 |
| 12ba (CH3) | 18.8 |
