Spektraris NMR
Granaxylocarpins A
Common Name: Granaxylocarpins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O12/c1-9-17(2)31(40)46-29-26(27(39)18(3)21(32(29,5)6)14-24(37)42-8)30(44-19(4)35)34(41)22-15-25(38)45-28(20-11-13-43-16-20)33(22,7)12-10-23(34)36/h11,13,15-18,21,26,28-30,41H,9-10,12,14H2,1-8H3/t17?,18-,21-,26-,28+,29-,30-,33-,34+/m1/s1
InChIKey: InChIKey=WLGITUVANAQCQM-NKRUWJQTSA-N
Formula: C34H44O12
Molecular Weight: 644.707273
Exact Mass: 644.283277
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) | 208.1 |
| 2 (CH) | 48.2 |
| 3 (CH) | 80.3 |
| 4 (C) | 39.3 |
| 5 (CH) | 46.3 |
| 6 (CH2) | 34.2 |
| 7 (C) | 173.3 |
| 8 (C) | 80.6 |
| 9 (C) | 209.1 |
| 10 (CH) | 47 |
| 11 (CH2) | 33.6 |
| 12 (CH2) | 25.1 |
| 13 (C) | 38.5 |
| 14 (C) | 165.5 |
| 15 (CH) | 119 |
| 16 (C) | 163.1 |
| 17 (CH) | 79.8 |
| 18 (CH3) | 18.7 |
| 19 (CH3) | 11.6 |
| 20 (C) | 119.6 |
| 21 (CH) | 141.4 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 24.7 |
| 29 (CH3) | 20.6 |
| 30 (CH) | 69 |
| 3a (C) | 175.3 |
| 3b (CH) | 40.6 |
| 3c (CH2) | 26 |
| 3d (CH3) | 11.4 |
| 3ba (CH3) | 15.6 |
| 7a (CH3) | 51.9 |
| 30a (C) | 171 |
| 30b (CH3) | 21.4 |
