Spektraris NMR
Briaexcavatolide L
Common Name: Briaexcavatolide L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H44O13/c1-9-10-23(35)42-20-11-14(2)12-22-30(38,29(8,37)27(36)43-22)26(41-18(6)33)24-15(3)19(34)13-21(39-16(4)31)28(24,7)25(20)40-17(5)32/h12,15,19-22,24-26,34,37-38H,9-11,13H2,1-8H3/b14-12-/t15-,19-,20-,21-,22-,24+,25-,26-,28-,29-,30+/m0/s1
InChIKey: InChIKey=ZSLFBBPCCHJUKI-NXBWZQOZSA-N
Formula: C30H44O13
Molecular Weight: 612.663734
Exact Mass: 612.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P.J., Su, J.H., Duh, C.Y., Chiang, M.Y., Sheu, J.H. J Nat Prod (2001) 64, 318-23
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) | 42.8 |
| 2 (CH) | 72.9 |
| 3 (CH) | 73.2 |
| 4 (CH2) | 33 |
| 5 (C) | 141.7 |
| 6 (CH) | 125.2 |
| 7 (CH) | 85.5 |
| 8 (C) | 81.2 |
| 9 (CH) | 65.2 |
| 10 (CH) | 43.8 |
| 11 (CH) | 37 |
| 12 (CH) | 69.6 |
| 13 (CH2) | 34.6 |
| 14 (CH) | 74.5 |
| 15 (CH3) | 19.9 |
| 16 (CH3) | 22.6 |
| 17 (C) | 76.8 |
| 18 (CH3) | 16.2 |
| 19 (C) | 176.7 |
| 20 (CH3) | 15.5 |
| 2a (C) | 171 |
| 2b (CH3) | 21.8 |
| 3a (C) | 173.2 |
| 3b (CH2) | 35.8 |
| 3c (CH2) | 17.9 |
| 3d (CH3) | 13.6 |
| 9a (C) | 170.4 |
| 9b (CH3) | 21 |
| 14a (C) | 169.3 |
| 14b (CH3) | 21 |
