Spektraris NMR
7-Oxoabieta-8(14),9(11),12-triene-18-ol hexadecanoate
Common Name: 7-Oxoabieta-8(14),9(11),12-triene-18-ol hexadecanoate
Synonyms: 7-Oxoabieta-8(14),9(11),12-triene-18-ol hexadecanoate
CAS Registry Number:
InChI: InChI=1S/C36H58O3/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(38)39-27-35(4)23-19-24-36(5)31-22-21-29(28(2)3)25-30(31)32(37)26-33(35)36/h21-22,25,28,33H,6-20,23-24,26-27H2,1-5H3/t33-,35-,36+/m0/s1
InChIKey: InChIKey=MNBBDLGYRHAIGE-REAFWAPUSA-N
Formula: C36H58O3
Molecular Weight: 538.845271
Exact Mass: 538.438596
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seca, A.M.L., Silva, A.M.S., Bazzocchi, I.L., Jimenez, I.A. Phytochemistry (2008) 69, 498-505
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) | 37.4 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 35.3 |
| 4 (C) | 36.6 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 36 |
| 7 (C) | 199 |
| 8 (C) | 130.6 |
| 9 (C) | 153.3 |
| 10 (C) | 37.6 |
| 11 (CH) | 123.6 |
| 12 (CH) | 132.6 |
| 13 (C) | 146.8 |
| 14 (CH) | 125 |
| 15 (CH) | 33.6 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.8 |
| 18 (CH2) | 71.4 |
| 19 (CH3) | 17.3 |
| 20 (CH3) | 23.9 |
| 18a (C) | 173.8 |
| 18b (CH2) | 34.3 |
| 18c (CH2) | 24.9 |
| 18d (CH2) | 29.1 |
| 18e (CH2) | 29.1 |
| 18f (CH2) | 29.1 |
| 18g (CH2) | 29.1 |
| 18h (CH2) | 29.1 |
| 18i (CH2) | 27.1 |
| 18j (CH2) | 27.1 |
| 18k (CH2) | 27.1 |
| 18l (CH2) | 27.1 |
| 18m (CH2) | 27.1 |
| 18n (CH2) | 31.9 |
| 18o (CH2) | 22.7 |
| 18p (CH3) | 14.1 |
