Spektraris NMR
Excavatolide V
Common Name: Excavatolide V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O13/c1-10-24(36)42-20-13-22(39-17(5)33)29(8)25(15(20)3)27(41-19(7)35)31-23(43-28(37)30(31,9)44-31)12-14(2)11-21(38-16(4)32)26(29)40-18(6)34/h12,15,20-23,25-27H,10-11,13H2,1-9H3/b14-12-/t15-,20-,21-,22-,23-,25+,26-,27-,29-,30-,31-/m0/s1
InChIKey: InChIKey=ICRWAMKSOZMQIE-MCLRJFHNSA-N
Formula: C31H42O13
Molecular Weight: 622.658589
Exact Mass: 622.262541
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) | 80.9 |
| 3 (CH) | 73.6 |
| 4 (CH2) | 33.9 |
| 5 (C) | 139.9 |
| 6 (CH) | 122.5 |
| 7 (CH) | 74.2 |
| 8 (C) | 69.1 |
| 9 (CH) | 64.8 |
| 10 (CH) | 40.1 |
| 11 (CH) | 32.9 |
| 12 (CH) | 69.9 |
| 13 (CH2) | 27 |
| 14 (CH) | 81.5 |
| 15 (CH3) | 18.1 |
| 16 (CH3) | 20.8 |
| 17 (C) | 60.5 |
| 18 (CH3) | 10.1 |
| 19 (C) | 172.4 |
| 20 (CH3) | 10.3 |
| 2a (C) | 169.7 |
| 2b (CH3) | 21.4 |
| 3a (C) | 170.1 |
| 3b (CH3) | 22.2 |
| 9a (C) | 170.7 |
| 9b (CH3) | 22.3 |
| 12a (C) | 173.6 |
| 12b (CH2) | 27.3 |
| 12c (CH3) | 9 |
| 14a (C) | 172.2 |
| 14b (CH3) | 22.8 |
