Spektraris NMR
Florxenilide B
Common Name: Florxenilide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O11/c1-17(2)15-25(40-19(4)34)28(41-20(5)35)24-16-39-32(42-21(6)36)26-18(3)27(37)29(30-33(7,44-30)14-13-23(24)26)43-31(38)22-11-9-8-10-12-22/h8-12,15-16,23,25-30,32,37H,3,13-14H2,1-2,4-7H3/t23-,25-,26+,27+,28+,29+,30-,32+,33+/m1/s1
InChIKey: InChIKey=WHFYKRNZGHQAED-QVRYFSDSSA-N
Formula: C33H40O11
Molecular Weight: 612.665369
Exact Mass: 612.257062
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) | 148 |
| 2 (CH) | 40.6 |
| 3 (CH) | 38.4 |
| 4 (CH2) | 26 |
| 5 (CH2) | 40.5 |
| 6 (C) | 60.1 |
| 7 (CH) | 61.6 |
| 8 (CH) | 80.6 |
| 9 (CH) | 80.6 |
| 10 (C) | 112.8 |
| 11 (CH) | 70.5 |
| 12 (CH) | 71.2 |
| 13 (CH) | 118 |
| 14 (C) | 141.2 |
| 15 (CH3) | 18.8 |
| 16 (CH3) | 25.8 |
| 17 (CH) | 138.1 |
| 18 (CH) | 91.2 |
| 19 (CH2) | 117.9 |
| 20 (CH3) | 17.9 |
| 1' (C) | 166.7 |
| 2' (C) | 129.8 |
| 3' (CH) | 129.6 |
| 4' (CH) | 128.5 |
| 5' (CH) | 133.6 |
| 6' (CH) | 128.5 |
| 7' (CH) | 129.6 |
| 11a (C) | 169.7 |
| 11b (CH3) | 21.1 |
| 12a (C) | 169.6 |
| 12b (CH3) | 21 |
| 18a (C) | 170.2 |
| 18b (CH3) | 20.9 |
