Spektraris NMR
6alpha-(Abieta-6,8,11,13-tetraene-12-yloxy)abieta-8,11,13-triene-7alpha,12-diol
Common Name: 6alpha-(Abieta-6,8,11,13-tetraene-12-yloxy)abieta-8,11,13-triene-7alpha,12-diol
Synonyms: 6alpha-(Abieta-6,8,11,13-tetraene-12-yloxy)abieta-8,11,13-triene-7alpha,12-diol
CAS Registry Number:
InChI: InChI=1S/C40H56O3/c1-23(2)26-20-28-30(21-31(26)41)40(10)18-12-16-38(7,8)36(40)35(34(28)42)43-32-22-29-25(19-27(32)24(3)4)13-14-33-37(5,6)15-11-17-39(29,33)9/h13-14,19-24,33-36,41-42H,11-12,15-18H2,1-10H3/t33-,34-,35-,36-,39+,40+/m0/s1
InChIKey: InChIKey=BVXJJUVTDVHJFN-WYQIBVNASA-N
Formula: C40H56O3
Molecular Weight: 584.872333
Exact Mass: 584.422946
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hsieh, C.L., Shiu, L.L., Tseng, M.H., Shao, Y.Y., Kuo, Y.H. J Nat Prod (2006) 69, 665-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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 (CH2) | 36.1 |
| 2 (CH2) | 19 |
| 3 (CH2) | 41.1 |
| 4 (C) | 32.9 |
| 5 (CH) | 51 |
| 6 (CH) | 127.6 |
| 7 (CH) | 127.2 |
| 8 (C) | 125.8 |
| 9 (C) | 147.1 |
| 10 (C) | 38.3 |
| 11 (CH) | 107.1 |
| 12 (C) | 153.4 |
| 13 (C) | 134.9 |
| 14 (CH) | 124.7 |
| 15 (CH) | 25.8 |
| 16 (CH3) | 23.3 |
| 17 (CH3) | 23.3 |
| 18 (CH3) | 32.6 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 20.4 |
| 1' (CH2) | 39.2 |
| 2' (CH2) | 19 |
| 3' (CH2) | 43.1 |
| 4' (C) | 34.1 |
| 5' (CH) | 55.1 |
| 6' (CH) | 79.2 |
| 7' (CH) | 75.1 |
| 8' (C) | 128.3 |
| 9' (C) | 149.6 |
| 10' (C) | 38.4 |
| 11' (CH) | 110.2 |
| 12' (C) | 153 |
| 13' (C) | 132.2 |
| 14' (CH) | 127.6 |
| 15' (CH) | 26.8 |
| 16' (CH3) | 22.5 |
| 17' (CH3) | 22.6 |
| 18' (CH3) | 35.5 |
| 19' (CH3) | 22.8 |
| 20' (CH3) | 25.5 |
