Spektraris NMR
Briarlide A
Common Name: Briarlide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O14/c1-13-12-20-30(29(9,44-30)26(36)43-20)25(42-18(6)35)23-27(7,11-10-19(28(23,8)37)38-14(2)31)24(41-17(5)34)22(40-16(4)33)21(13)39-15(3)32/h10-12,19-25,37H,1-9H3/b13-12-/t19-,20+,21+,22+,23-,24+,25+,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=PTIRHELEGDAWPU-CXIANTJISA-N
Formula: C30H38O14
Molecular Weight: 622.615495
Exact Mass: 622.226156
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Nishitani, N., Kurosaki, S., Okamura, H., Nakatani, M., Doe, M., Takemura, K. J Nat Prod (2003) 66, 1412-5
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) | 47 |
| 2 (CH) | 76.7 |
| 3 (CH) | 70.8 |
| 4 (CH) | 76.1 |
| 5 (C) | 140.5 |
| 6 (CH) | 125.4 |
| 7 (CH) | 73.3 |
| 8 (C) | 71.5 |
| 9 (CH) | 65.1 |
| 10 (CH) | 43.6 |
| 11 (C) | 72.6 |
| 12 (CH) | 73.1 |
| 13 (CH) | 123.2 |
| 14 (CH) | 140.1 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.4 |
| 17 (C) | 64.7 |
| 18 (CH3) | 9.8 |
| 19 (C) | 170.5 |
| 20 (CH3) | 21.2 |
| 2a (C) | 168.8 |
| 2b (CH3) | 20.5 |
| 3a (C) | 169.7 |
| 3b (CH3) | 20.8 |
| 4a (C) | 169.9 |
| 4b (CH3) | 20.9 |
| 9a (C) | 169.9 |
| 9b (CH3) | 20.9 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.3 |
