Spektraris NMR
Briarlide E
Common Name: Briarlide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H44O13/c1-9-10-11-12-22(36)44-24-16(2)15-21-32(31(8,45-32)28(38)43-21)27(42-19(5)35)25-29(6,26(23(24)37)41-18(4)34)14-13-20(30(25,7)39)40-17(3)33/h13-15,20-21,23-27,37,39H,9-12H2,1-8H3/b16-15-/t20-,21+,23+,24+,25-,26+,27+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=SRFQLYARLWUPDM-GAOBVPFCSA-N
Formula: C32H44O13
Molecular Weight: 636.685206
Exact Mass: 636.278191
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 |
| 2 (CH) | 76.5 |
| 3 (CH) | 71.3 |
| 4 (CH) | 76.6 |
| 5 (C) | 141.5 |
| 6 (CH) | 124.1 |
| 7 (CH) | 73.5 |
| 8 (C) | 71.3 |
| 9 (CH) | 65 |
| 10 (CH) | 44.4 |
| 11 (C) | 72.4 |
| 12 (CH) | 73 |
| 13 (CH) | 122.9 |
| 14 (CH) | 139.6 |
| 15 (CH3) | 15.5 |
| 16 (CH3) | 25.4 |
| 17 (C) | 64.8 |
| 18 (CH3) | 9.6 |
| 19 (C) | 170.2 |
| 20 (CH3) | 21.3 |
| 2a (C) | 168.4 |
| 2b (CH3) | 20.8 |
| 4a (C) | 173.4 |
| 4b (CH2) | 34.2 |
| 4c (CH2) | 31.2 |
| 4d (CH2) | 24.5 |
| 4e (CH2) | 22.3 |
| 4f (CH3) | 13.9 |
| 9a (C) | 169.4 |
| 9b (CH3) | 20.8 |
| 12a (C) | 169.7 |
| 12b (CH3) | 21.4 |
