Spektraris NMR
Briaexcavatolide O
Common Name: Briaexcavatolide O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O13/c1-9-10-21(35)42-23-13(2)11-20-30(29(8,43-30)27(37)41-20)26(40-17(6)33)22-14(3)18(34)12-19(38-15(4)31)28(22,7)25(36)24(23)39-16(5)32/h11,14,18-20,22-26,34,36H,9-10,12H2,1-8H3/b13-11-/t14-,18-,19-,20-,22+,23+,24-,25-,26-,28-,29-,30-/m0/s1
InChIKey: InChIKey=CLOMSPXFEZDKJY-GYKQGYDPSA-N
Formula: C30H42O13
Molecular Weight: 610.647853
Exact Mass: 610.262541
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) | 44.8 |
| 2 (CH) | 83.1 |
| 3 (CH) | 75 |
| 4 (CH) | 65.8 |
| 5 (C) | 139.4 |
| 6 (CH) | 127.3 |
| 7 (CH) | 74.4 |
| 8 (C) | 69.8 |
| 9 (CH) | 65.4 |
| 10 (CH) | 41.7 |
| 11 (CH) | 36.3 |
| 12 (CH) | 66.3 |
| 13 (CH2) | 31.3 |
| 14 (CH) | 82.3 |
| 15 (CH3) | 20.1 |
| 16 (CH3) | 18.7 |
| 17 (C) | 60.4 |
| 18 (CH3) | 10 |
| 19 (C) | 172.1 |
| 20 (CH3) | 9.5 |
| 3a (C) | 171.6 |
| 3b (CH3) | 21.7 |
| 4a (C) | 172.2 |
| 4b (CH2) | 36.1 |
| 4c (CH2) | 18.6 |
| 4d (CH3) | 13.4 |
| 9a (C) | 171 |
| 9b (CH3) | 21.6 |
| 14a (C) | 170.8 |
| 14b (CH3) | 20.7 |
