Spektraris NMR
Briaexcavatin E
Common Name: Briaexcavatin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H46O13/c1-15(2)11-26(38)44-22-14-24(41-19(6)35)31(9)27(17(22)4)29(43-21(8)37)33-25(45-30(39)32(33,10)46-33)13-16(3)12-23(40-18(5)34)28(31)42-20(7)36/h13,15,17,22-25,27-29H,11-12,14H2,1-10H3/b16-13-/t17-,22-,23-,24-,25-,27+,28-,29-,31-,32+,33-/m0/s1
InChIKey: InChIKey=HAZRLQZWMFCPHO-JWIOULEDSA-N
Formula: C33H46O13
Molecular Weight: 650.711823
Exact Mass: 650.293842
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sung, P., Chen, Y., Hwang, T., Hu, W., Fang, L., Wu, Y., Li, J., Sheu, J. Tetrahedron (2006) 62, 5686-91
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) | 44.1 |
| 2 (CH) | 81.4 |
| 3 (CH) | 73.5 |
| 4 (CH2) | 33.9 |
| 5 (C) | 139.2 |
| 6 (CH) | 122 |
| 7 (CH) | 74 |
| 8 (C) | 69 |
| 9 (CH) | 66.2 |
| 10 (CH) | 40.1 |
| 11 (CH) | 32.6 |
| 12 (CH) | 69.2 |
| 13 (CH2) | 27.2 |
| 14 (CH) | 80.9 |
| 15 (CH3) | 18.3 |
| 16 (CH3) | 22.5 |
| 17 (C) | 60.3 |
| 18 (CH3) | 10.3 |
| 19 (C) | 172 |
| 20 (CH3) | 10.5 |
| 2a (C) | 172.7 |
| 2b (CH3) | 22.6 |
| 3a (C) | 170.7 |
| 3b (CH3) | 22.5 |
| 9a (C) | 169.8 |
| 9b (CH3) | 21.9 |
| 12a (C) | 171.3 |
| 12b (CH2) | 43.7 |
| 12c (CH) | 25.8 |
| 12d (CH3) | 22.7 |
| 12e (CH3) | 22.7 |
| 14a (C) | 169.7 |
| 14b (CH3) | 21.3 |
