Spektraris NMR
Briarlide P
Common Name: Briarlide P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H36O12/c1-12-9-10-18(35-14(3)29)26(7)20(12)23(37-16(5)31)28-19(39-25(34)27(28,8)40-28)11-13(2)22(36-15(4)30)21(33)24(26)38-17(6)32/h9,11,18-24,33H,10H2,1-8H3/b13-11-/t18-,19-,20+,21+,22-,23-,24-,26-,27-,28-/m0/s1
InChIKey: InChIKey=IDRQERODDPDPHL-UPMYMEJDSA-N
Formula: C28H36O12
Molecular Weight: 564.579331
Exact Mass: 564.220677
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Nakatani, M., Doe, M., Morimoto, Y., Takemura, K. J Nat Prod (2005) 68, 31-5
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) | 45.4 |
| 2 (CH) | 71.8 |
| 3 (CH) | 70.7 |
| 4 (CH) | 76.9 |
| 5 (C) | 142.1 |
| 6 (CH) | 123.6 |
| 7 (CH) | 73.7 |
| 8 (C) | 70.4 |
| 9 (CH) | 67.6 |
| 10 (CH) | 44 |
| 11 (C) | 133 |
| 12 (CH) | 120.9 |
| 13 (CH2) | 25.9 |
| 14 (CH) | 73 |
| 15 (CH3) | 15.1 |
| 16 (CH3) | 25 |
| 17 (C) | 63.3 |
| 18 (CH3) | 9.5 |
| 19 (C) | 170.9 |
| 20 (CH3) | 24.7 |
| 1'''' (C) | 168.9 |
| 2'''' (CH3) | 20.8 |
| 2a (C) | 169.9 |
| 2b (CH3) | 21.1 |
| 9a (C) | 170.6 |
| 9b (CH3) | 21.3 |
| 14a (C) | 170.9 |
| 14b (CH3) | 21.4 |
