Spektraris NMR
6alpha-(Abieta-6,8,11,13-tetraene-12-yloxy)-7alpha,12-diacetoxyabieta-8,11,13-triene
Common Name: 6alpha-(Abieta-6,8,11,13-tetraene-12-yloxy)-7alpha,12-diacetoxyabieta-8,11,13-triene
Synonyms: 6alpha-(Abieta-6,8,11,13-tetraene-12-yloxy)-7alpha,12-diacetoxyabieta-8,11,13-triene
CAS Registry Number:
InChI: InChI=1S/C44H60O5/c1-25(2)30-21-29-15-16-37-41(7,8)17-13-19-43(37,11)33(29)23-36(30)49-39-38(48-28(6)46)32-22-31(26(3)4)35(47-27(5)45)24-34(32)44(12)20-14-18-42(9,10)40(39)44/h15-16,21-26,37-40H,13-14,17-20H2,1-12H3/t37-,38-,39-,40-,43+,44+/m0/s1
InChIKey: InChIKey=BBCILNXOYDORQP-HGQKMWNXSA-N
Formula: C44H60O5
Molecular Weight: 668.945849
Exact Mass: 668.444075
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) | 39.2 |
| 2 (CH2) | 19 |
| 3 (CH2) | 36.1 |
| 4 (C) | 32.9 |
| 5 (CH) | 50.9 |
| 6 (CH) | 127.5 |
| 7 (CH) | 127.2 |
| 8 (C) | 125.9 |
| 9 (C) | 146.6 |
| 10 (C) | 38 |
| 11 (CH) | 106.1 |
| 12 (C) | 152.8 |
| 13 (C) | 135 |
| 14 (CH) | 124.8 |
| 15 (CH) | 25.4 |
| 16 (CH3) | 23.5 |
| 17 (CH3) | 23 |
| 18 (CH3) | 31.6 |
| 19 (CH3) | 22.6 |
| 20 (CH3) | 20 |
| 1' (CH2) | 41 |
| 2' (CH2) | 18.8 |
| 3' (CH2) | 42.8 |
| 4' (C) | 34.1 |
| 5' (CH) | 54.6 |
| 6' (CH) | 76.7 |
| 7' (CH) | 75.5 |
| 8' (C) | 130.3 |
| 9' (C) | 149.8 |
| 10' (C) | 38.5 |
| 11' (CH) | 117.1 |
| 12' (C) | 148.5 |
| 13' (C) | 137.8 |
| 14' (CH) | 129.1 |
| 15' (CH) | 27.2 |
| 16' (CH3) | 22.9 |
| 17' (CH3) | 22.5 |
| 18' (CH3) | 35.3 |
| 19' (CH3) | 22.7 |
| 20' (CH3) | 25.2 |
| 7'a (C) | 169.7 |
| 7'b (CH3) | 21.3 |
| 12'a (C) | 169.7 |
| 12'b (CH3) | 21 |
