Spektraris NMR
Briarlide M
Common Name: Briarlide M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H42O12/c1-7-8-9-10-23(35)40-19-14-21(38-16(2)32)27(4)12-11-20(34)28(5,37)24(27)25(39-17(3)33)30-22(13-18(19)15-31)41-26(36)29(30,6)42-30/h11-13,19-22,24-25,31,34,37H,7-10,14-15H2,1-6H3/b18-13-/t19-,20-,21+,22+,24-,25+,27-,28-,29+,30+/m1/s1
InChIKey: InChIKey=HUMUAWPFCGNRGG-UNNBWFDVSA-N
Formula: C30H42O12
Molecular Weight: 594.648448
Exact Mass: 594.267627
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) | 46.7 |
| 2 (CH) | 78 |
| 3 (CH2) | 38.2 |
| 4 (CH) | 69.4 |
| 5 (C) | 146.5 |
| 6 (CH) | 124 |
| 7 (CH) | 73.4 |
| 8 (C) | 71 |
| 9 (CH) | 65.7 |
| 10 (CH) | 43.3 |
| 11 (C) | 73.6 |
| 12 (CH) | 70.4 |
| 13 (CH) | 124.9 |
| 14 (CH) | 138.4 |
| 15 (CH3) | 15.1 |
| 16 (CH2) | 65.8 |
| 17 (C) | 64.3 |
| 18 (CH3) | 9.7 |
| 19 (C) | 170.6 |
| 20 (CH3) | 21.4 |
| 2a (C) | 168.1 |
| 2b (CH3) | 21.2 |
| 4a (C) | 173.1 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 31.2 |
| 4d (CH2) | 24.5 |
| 4e (CH2) | 22.2 |
| 4f (CH3) | 13.8 |
| 9a (C) | 171.1 |
| 9b (CH3) | 21.6 |
