Spektraris NMR
Excavatolide U
Common Name: Excavatolide U
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O13/c1-10-12-26(38)44-22-13-16(3)14-24-33(32(9,46-33)30(39)45-24)29(42-20(7)36)27-17(4)21(43-25(37)11-2)15-23(40-18(5)34)31(27,8)28(22)41-19(6)35/h14,17,21-24,27-29H,10-13,15H2,1-9H3/b16-14-/t17-,21-,22-,23-,24-,27+,28-,29-,31-,32-,33-/m0/s1
InChIKey: InChIKey=JBXMZEVTKGJBHH-ZTQGKPKFSA-N
Formula: C33H46O13
Molecular Weight: 650.711823
Exact Mass: 650.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sheu, J.H., Sung, P.J., Su, J.H., Wang, G.H., Duh, C.Y., Shen, Y.C., Chiang, M.Y., Chen, I.T. J Nat Prod (1999) 62, 1415-20
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) | 44 |
| 2 (CH) | 81.1 |
| 3 (CH) | 73.4 |
| 4 (CH2) | 34.1 |
| 5 (C) | 140 |
| 6 (CH) | 122.5 |
| 7 (CH) | 74.2 |
| 8 (C) | 69 |
| 9 (CH) | 64.9 |
| 10 (CH) | 40.1 |
| 11 (CH) | 32.9 |
| 12 (CH) | 69.9 |
| 13 (CH2) | 27 |
| 14 (CH) | 81.5 |
| 15 (CH3) | 18 |
| 16 (CH3) | 22.2 |
| 17 (C) | 60.5 |
| 18 (CH3) | 10.1 |
| 19 (C) | 172.3 |
| 20 (CH3) | 10.3 |
| 2a (C) | 170.2 |
| 2b (CH3) | 21.5 |
| 3a (C) | 172.4 |
| 3b (CH2) | 35.7 |
| 3c (CH2) | 18.3 |
| 3d (CH3) | 13.7 |
| 9a (C) | 170.7 |
| 9b (CH3) | 22.3 |
| 12a (C) | 173.6 |
| 12b (CH2) | 27.3 |
| 12c (CH3) | 9 |
| 14a (C) | 172 |
| 14b (CH3) | 22.7 |
