Spektraris NMR
Briaexcavatolide R
Common Name: Briaexcavatolide R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H56O13/c1-10-12-13-14-15-17-31(43)48-26-20-28(45-23(5)39)36(8)32(22(26)4)34(47-25(7)41)38-29(50-35(44)37(38,9)51-38)19-21(3)18-27(33(36)46-24(6)40)49-30(42)16-11-2/h19,22,26-29,32-34H,10-18,20H2,1-9H3/b21-19-/t22-,26-,27-,28-,29-,32+,33-,34-,36-,37+,38-/m0/s1
InChIKey: InChIKey=PMFBSPNVUAUBJU-BUJCLJGNSA-N
Formula: C38H56O13
Molecular Weight: 720.84491
Exact Mass: 720.372092
NMR Solvent: CDCl3
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) | 44.3 |
| 2 (CH) | 81.2 |
| 3 (CH) | 73.5 |
| 4 (CH2) | 34.4 |
| 5 (C) | 140 |
| 6 (CH) | 122.3 |
| 7 (CH) | 74.1 |
| 8 (C) | 68.8 |
| 9 (CH) | 64.8 |
| 10 (CH) | 40.3 |
| 11 (CH) | 33 |
| 12 (CH) | 70 |
| 13 (CH2) | 27.2 |
| 14 (CH) | 81.5 |
| 15 (CH3) | 18.1 |
| 16 (CH3) | 22.1 |
| 17 (C) | 60.5 |
| 18 (CH3) | 9.9 |
| 19 (C) | 172.3 |
| 20 (CH3) | 10.4 |
| 2a (C) | 171.7 |
| 2b (CH3) | 22.1 |
| 3a (C) | 172.6 |
| 3b (CH2) | 36.5 |
| 3c (CH2) | 19.2 |
| 3d (CH3) | 14.3 |
| 9a (C) | 170.7 |
| 9b (CH3) | 21.9 |
| 12a (C) | 174.3 |
| 12b (CH2) | 34.5 |
| 12c (CH2) | 31.9 |
| 12d (CH2) | 31.6 |
| 12e (CH2) | 31.5 |
| 12f (CH2) | 25.1 |
| 12g (CH2) | 19.1 |
| 12h (CH3) | 14.1 |
| 14a (C) | 170.2 |
| 14b (CH3) | 21.8 |
