Spektraris NMR
brianthein A
Common Name: brianthein A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O8/c1-13-10-21-19(15(3)25(30)34-21)12-20-14(2)8-9-23(32-17(5)28)26(20,7)24(33-18(6)29)22(11-13)31-16(4)27/h8,10,20-24H,9,11-12H2,1-7H3/b13-10-/t20-,21-,22+,23-,24-,26+/m0/s1
InChIKey: InChIKey=UVULRSYDTPPXKK-GPPBQDGBSA-N
Formula: C26H34O8
Molecular Weight: 474.544358
Exact Mass: 474.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Iwagawa, T., Babazono, K., Okamura, H., Nakatani, M., Doe, M., Morimoto, Y., Shiro, M., Takemura, K. Heterocycles (2005) 65, 2083-93
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) | 41.6 |
| 2 (CH) | 72.2 |
| 3 (CH) | 68.5 |
| 4 (CH2) | 36.1 |
| 5 (C) | 137.9 |
| 6 (CH) | 125.5 |
| 7 (CH) | 80.6 |
| 8 (C) | 159.7 |
| 9 (CH2) | 29.1 |
| 10 (CH) | 38.1 |
| 11 (C) | 136.1 |
| 12 (CH) | 116.9 |
| 13 (CH2) | 25.9 |
| 14 (CH) | 72.9 |
| 15 (CH3) | 14.5 |
| 16 (CH3) | 26.8 |
| 17 (C) | 125.1 |
| 18 (CH3) | 9.8 |
| 19 (C) | 174 |
| 20 (CH3) | 21.5 |
| 2a (C) | 170.5 |
| 2b (CH3) | 20.5 |
| 3a (C) | 170.7 |
| 3b (CH3) | 21 |
| 14a (C) | 171 |
| 14b (CH3) | 21.1 |
