Spektraris NMR
Florxenilide A
Common Name: Florxenilide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O10/c1-18(2)15-28(40-21(5)34)31(41-22(6)35)26-17-39-33(42-23(7)36)29-20(4)30(37)27(16-19(3)13-14-25(26)29)43-32(38)24-11-9-8-10-12-24/h8-12,15-17,25,27-31,33,37H,4,13-14H2,1-3,5-7H3/b19-16+/t25-,27-,28-,29+,30+,31+,33+/m1/s1
InChIKey: InChIKey=BQOJFPTWLOFINV-MHGZBKNESA-N
Formula: C33H40O10
Molecular Weight: 596.665964
Exact Mass: 596.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cheng, Y.B., Jang, J.Y., Khalil, A.T., Kuo, Y.H., Shen, Y.C. J Nat Prod (2006) 69, 675-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 150 |
| 2 (CH) | 41.9 |
| 3 (CH) | 38 |
| 4 (CH2) | 28.7 |
| 5 (CH2) | 40.6 |
| 6 (C) | 137.5 |
| 7 (CH) | 122.3 |
| 8 (CH) | 78 |
| 9 (CH) | 81.5 |
| 10 (C) | 113.1 |
| 11 (CH) | 70.6 |
| 12 (CH) | 71.5 |
| 13 (CH) | 117.8 |
| 14 (C) | 140.8 |
| 15 (CH3) | 18.7 |
| 16 (CH3) | 25.7 |
| 17 (CH) | 137.2 |
| 18 (CH) | 91.8 |
| 19 (CH2) | 115.5 |
| 20 (CH3) | 18.1 |
| 1' (C) | 166 |
| 2' (C) | 129.9 |
| 3' (CH) | 129.4 |
| 4' (CH) | 128.3 |
| 5' (CH) | 133.1 |
| 6' (CH) | 128.3 |
| 7' (CH) | 129.4 |
| 11a (C) | 169.7 |
| 11b (CH3) | 20.8 |
| 12a (C) | 169.6 |
| 12b (CH3) | 20.8 |
| 18a (C) | 170.2 |
| 18b (CH3) | 20.9 |
