Spektraris NMR
Briaexcavatolide Z
Common Name: Briaexcavatolide Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H46O14/c1-10-11-25(37)45-22-12-15(2)13-24-32(40,31(9,39)29(38)46-24)28(44-20(7)36)26-16(3)21(41-17(4)33)14-23(42-18(5)34)30(26,8)27(22)43-19(6)35/h13,16,21-24,26-28,39-40H,10-12,14H2,1-9H3/b15-13-/t16-,21-,22-,23-,24-,26+,27-,28-,30-,31-,32+/m0/s1
InChIKey: InChIKey=ZMCCPUROUUVSBW-NACARAKRSA-N
Formula: C32H46O14
Molecular Weight: 654.700492
Exact Mass: 654.288756
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Hu, W., Wu, S., Su, J., Fang, L., Wang, J., Sheu, J. Tetrahedron (2004) 60, 8975-9
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) | 42.7 |
| 2 (CH) | 72.5 |
| 3 (CH) | 73.1 |
| 4 (CH2) | 33 |
| 5 (C) | 142.1 |
| 6 (CH) | 125 |
| 7 (CH) | 85.6 |
| 8 (C) | 81.7 |
| 9 (CH) | 65 |
| 10 (CH) | 43.2 |
| 11 (CH) | 34.8 |
| 12 (CH) | 71.1 |
| 13 (CH2) | 31.9 |
| 14 (CH) | 73.8 |
| 15 (CH3) | 19.6 |
| 16 (CH3) | 22.8 |
| 17 (C) | 76.9 |
| 18 (CH3) | 16.7 |
| 19 (C) | 175.8 |
| 20 (CH3) | 15 |
| 2a (C) | 168.6 |
| 2b (CH3) | 22 |
| 3a (C) | 173.2 |
| 3b (CH2) | 35.8 |
| 3c (CH2) | 17.9 |
| 3d (CH3) | 13.6 |
| 9a (C) | 169.2 |
| 9b (CH3) | 20.9 |
| 12a (C) | 170.7 |
| 12b (CH3) | 20.6 |
| 14a (C) | 170.1 |
| 14b (CH3) | 20.9 |
