Spektraris NMR
Briaexcavatolide Q
Common Name: Briaexcavatolide Q
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O14/c1-10-11-23(37)45-26-14(2)12-22-32(31(9,46-32)29(39)44-22)27(42-18(6)35)24-15(3)20(40-16(4)33)13-21(41-17(5)34)30(24,8)28(25(26)38)43-19(7)36/h12,15,20-22,24-28,38H,10-11,13H2,1-9H3/b14-12-/t15-,20-,21-,22-,24+,25-,26+,27-,28-,30-,31+,32-/m0/s1
InChIKey: InChIKey=UJCIDXVYVOGYCI-NVUQLQKNSA-N
Formula: C32H44O14
Molecular Weight: 652.684611
Exact Mass: 652.273106
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wu, S.L., Sung, P.J., Chiang, M.Y., Wu, J.Y., Sheu, J.H. J Nat Prod (2001) 64, 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) | 44.4 |
| 2 (CH) | 87.3 |
| 3 (CH) | 74.5 |
| 4 (CH) | 68.3 |
| 5 (C) | 141.8 |
| 6 (CH) | 123.5 |
| 7 (CH) | 75.5 |
| 8 (C) | 70.9 |
| 9 (CH) | 66.8 |
| 10 (CH) | 41.7 |
| 11 (CH) | 35 |
| 12 (CH) | 71.8 |
| 13 (CH2) | 30.4 |
| 14 (CH) | 81.2 |
| 15 (CH3) | 18.4 |
| 16 (CH3) | 17.6 |
| 17 (C) | 63.2 |
| 18 (CH3) | 11.1 |
| 19 (C) | 171.8 |
| 20 (CH3) | 10.8 |
| 2a (C) | 172.4 |
| 2b (CH3) | 22.2 |
| 4a (C) | 173.5 |
| 4b (CH2) | 36.3 |
| 4c (CH2) | 19.1 |
| 4d (CH3) | 14.1 |
| 9a (C) | 171.3 |
| 9b (CH3) | 21.7 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.7 |
| 14a (C) | 170.4 |
| 14b (CH3) | 21.4 |
