Spektraris NMR
Granaxylocarpins C
Common Name: Granaxylocarpins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O11/c1-7-16(2)26(35)42-24-22-25-31(43-25)18(29(5)19(12-20(33)38-6)27(24,3)15-40-32(22,29)37)8-10-28(4)23(17-9-11-39-14-17)41-21(34)13-30(28,31)36/h7,9,11,14,18-19,22-25,36-37H,8,10,12-13,15H2,1-6H3/b16-7+/t18-,19+,22-,23+,24-,25-,27-,28+,29-,30+,31+,32-/m1/s1
InChIKey: InChIKey=ULTXGWVTQCMLGB-MSGMSCHSSA-N
Formula: C32H40O11
Molecular Weight: 600.654633
Exact Mass: 600.257062
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yin, S., Wang, X.N., Fan, C.Q., Lin, L.P., Ding, J., Yue, J.M. J Nat Prod (2007) 70, 682-5
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 (C) | 96.7 |
| 2 (CH) | 41.6 |
| 3 (CH) | 75.1 |
| 4 (C) | 36.8 |
| 5 (CH) | 35.3 |
| 6 (CH2) | 31.9 |
| 7 (C) | 173.7 |
| 8 (C) | 63.6 |
| 9 (CH) | 44.9 |
| 10 (C) | 41.7 |
| 11 (CH2) | 17.6 |
| 12 (CH2) | 31.7 |
| 13 (C) | 39.9 |
| 14 (C) | 72 |
| 15 (CH2) | 39.2 |
| 16 (C) | 168.9 |
| 17 (CH) | 78.3 |
| 18 (CH3) | 19.4 |
| 19 (CH3) | 15 |
| 20 (C) | 120.2 |
| 21 (CH) | 141.3 |
| 22 (CH) | 110.3 |
| 23 (CH) | 142.8 |
| 28 (CH3) | 15 |
| 29 (CH2) | 67.2 |
| 30 (CH) | 60.6 |
| 3a (C) | 167.5 |
| 3b (C) | 127.2 |
| 3c (CH) | 140.5 |
| 3d (CH3) | 14.6 |
| 3ba (CH3) | 12.1 |
| 7a (CH3) | 52.1 |
