Spektraris NMR
Turrapubesins B
Common Name: Turrapubesins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H41NO10/c1-15(2)29(40)43-27-26(42-17(4)35)25(31(7)11-10-21(36)30(5,6)20(31)14-24(38)41-9)16(3)33-22(44-33)13-19(32(27,33)8)18-12-23(37)34-28(18)39/h10-12,15,19-20,22,25-27H,3,13-14H2,1-2,4-9H3,(H,34,37,39)/t19-,20-,22+,25+,26+,27-,31-,32+,33+/m0/s1
InChIKey: InChIKey=OYHDEZIALAUGQD-NBSXFKJOSA-N
Formula: C33H40N1O10
Molecular Weight: 610.672707
Exact Mass: 610.265222
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Yin, S., Fan, C.Q., Wang, F.D., Lin, L.P., Ding, J., Yue, J.M. Org Lett (2006) 8, 3845-8
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) | 151.9 |
| 2 (CH) | 126 |
| 3 (C) | 203.8 |
| 4 (C) | 46.2 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 31.3 |
| 7 (C) | 174.1 |
| 8 (C) | 136.1 |
| 9 (CH) | 52.8 |
| 10 (C) | 42 |
| 11 (CH) | 71.2 |
| 12 (CH) | 74.6 |
| 13 (C) | 46.8 |
| 14 (C) | 71 |
| 15 (CH) | 59.5 |
| 16 (CH2) | 31.6 |
| 17 (CH) | 38.7 |
| 18 (CH3) | 13.8 |
| 19 (CH3) | 21.2 |
| 20 (C) | 148.1 |
| 21 (C) | 170.5 |
| 22 (CH) | 130.4 |
| 23 (C) | 169.4 |
| 28 (CH3) | 23 |
| 29 (CH3) | 22.7 |
| 30 (CH2) | 121.5 |
| 7a (CH3) | 52.1 |
| 11a (C) | 169.8 |
| 11b (CH3) | 20.8 |
| 12a (C) | 175.1 |
| 12b (CH) | 33.9 |
| 12c (CH3) | 18.3 |
| 12ba (CH3) | 18.9 |
