Spektraris NMR
3b-Acetoxy-6b,7a,12-trihydroxy-17(15-->16;18(4-->3)-bisabeo-abieta-4(19),8,12,16-tetraene-11,14-dion
Common Name: 3b-Acetoxy-6b,7a,12-trihydroxy-17(15-->16;18(4-->3)-bisabeo-abieta-4(19),8,12,16-tetraene-11,14-dion
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-6-7-12-16(24)13-15(20(28)17(12)25)21(4)8-9-22(5,29-11(3)23)10(2)14(21)19(27)18(13)26/h6,14,18-19,25-27H,1-2,7-9H2,3-5H3/t14-,18+,19+,21+,22+/m1/s1
InChIKey: InChIKey=UZBXGCKWOMZMIO-ZLICUJJFSA-N
Formula: C22H26O7
Molecular Weight: 402.438484
Exact Mass: 402.167853
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Batista, O., Simoes, M.F., Nascimento, J., Riberio, S., Duarte, A., Rodriguez, B., DelaTorre, M.C. Phytochemistry (1996) 41, 571-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Lanugons; 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) | 34.9 |
| 2 (CH2) | 32.4 |
| 3 (C) | 83.2 |
| 4 (C) | 145.8 |
| 5 (CH) | 44.7 |
| 6 (CH) | 70.2 |
| 7 (CH) | 67.8 |
| 8 (C) | 140.9 |
| 9 (C) | 147.9 |
| 10 (C) | 38.8 |
| 11 (C) | 183.1 |
| 12 (C) | 151.7 |
| 13 (C) | 117.9 |
| 14 (C) | 188.4 |
| 15 (CH2) | 26.9 |
| 16 (CH) | 133.6 |
| 17 (CH2) | 116.5 |
| 18 (CH3) | 25.7 |
| 19 (CH2) | 107.8 |
| 20 (CH3) | 20.6 |
| 3a (C) | 169.6 |
| 3b (CH3) | 22.5 |
