Spektraris NMR
Excavatolide I
Common Name: Excavatolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O13/c1-10-11-25(37)43-22-12-15(2)13-24-32(31(9,45-32)29(38)44-24)28(42-20(7)36)26-16(3)21(39-17(4)33)14-23(40-18(5)34)30(26,8)27(22)41-19(6)35/h13,16,21-24,26-28H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22?,23-,24-,26+,27-,28-,30-,31+,32-/m0/s1
InChIKey: InChIKey=PXMVCLJNHYLOIG-IWAZLPHQSA-N
Formula: C32H44O13
Molecular Weight: 636.685206
Exact Mass: 636.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Wang, G.H., Lin, S.F., Duh, C.Y., Sheu, J.H. J Nat Prod (1999) 62, 457-63
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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) | 43.9 |
| 2 (CH) | 80.8 |
| 3 (CH) | 73.5 |
| 4 (CH2) | 33.8 |
| 5 (C) | 139.9 |
| 6 (CH) | 122.4 |
| 7 (CH) | 74.1 |
| 8 (C) | 69.9 |
| 9 (CH) | 64.7 |
| 10 (CH) | 40 |
| 11 (CH) | 32.8 |
| 12 (CH) | 69.8 |
| 13 (CH2) | 26.9 |
| 14 (CH) | 81.4 |
| 15 (CH3) | 17.9 |
| 16 (CH3) | 22 |
| 17 (C) | 60.4 |
| 18 (CH3) | 10 |
| 19 (C) | 172.7 |
| 20 (CH3) | 10.2 |
| 2a (C) | 169.7 |
| 2b (CH3) | 20.7 |
| 3a (C) | 172.4 |
| 3b (CH2) | 35.7 |
| 3c (CH2) | 18.3 |
| 3d (CH3) | 13.6 |
| 9b (C) | 171.9 |
| 9c (CH3) | 22.6 |
| 12a (C) | 170.1 |
| 12b (CH3) | 21.6 |
| 14a (C) | 170.7 |
| 14b (CH3) | 22.2 |
