Spektraris NMR
11,12,16,17-tetrahydroxy-7,10-(epoxymethano)abiet-8,-11,13-triene-20-one
Common Name: 11,12,16,17-tetrahydroxy-7,10-(epoxymethano)abiet-8,-11,13-triene-20-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-19(2)4-3-5-20-14(19)7-13(26-18(20)25)12-6-11(10(8-21)9-22)16(23)17(24)15(12)20/h6,10,13-14,21-24H,3-5,7-9H2,1-2H3/t13?,14-,20+/m0/s1
InChIKey: InChIKey=BOYYOLSOYQRJBH-RXWSBMROSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Hosny, M., Johnson, H.A., Ueltschy, A.K., Rosazza, J.P. J Nat Prod (2002) 65, 1266-9
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) | 28.76 |
| 2 (CH2) | 19.62 |
| 3 (CH2) | 42.55 |
| 4 (C) | 36.35 |
| 5 (CH) | 46.58 |
| 6 (CH2) | 30.15 |
| 7 (CH) | 77.82 |
| 8 (C) | 136.3 |
| 9 (C) | 128.22 |
| 10 (C) | 49.5 |
| 11 (C) | 149.11 |
| 12 (C) | 150.1 |
| 13 (C) | 139.12 |
| 14 (CH) | 118.15 |
| 15 (CH) | 28.87 |
| 16 (CH2) | 69.33 |
| 17 (CH2) | 71.14 |
| 18 (CH3) | 30.05 |
| 19 (CH3) | 22.1 |
| 20 (C) | 176.52 |
