Common Name: Abieta-8(14),9(11),12-triene-18-ol hexadecanoate
Synonyms: Abieta-8(14),9(11),12-triene-18-ol hexadecanoate
CAS Registry Number:
InChI: InChI=1S/C36H60O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-20-34(37)38-28-35(4)25-19-26-36(5)32-23-21-30(29(2)3)27-31(32)22-24-33(35)36/h21,23,27,29,33H,6-20,22,24-26,28H2,1-5H3/t33-,35-,36+/m0/s1
InChIKey: InChIKey=NUXOECWZEZNHAV-REAFWAPUSA-N
Formula: C36H60O2
Molecular Weight: 524.861747
Exact Mass: 524.459331
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)
Position | PPM |
---|---|
1 (CH2) | 38.2 |
2 (CH2) | 18.2 |
3 (CH2) | 35.5 |
4 (C) | 37.4 |
5 (CH) | 44.2 |
6 (CH2) | 18.9 |
7 (CH2) | 30.2 |
8 (C) | 134.7 |
9 (C) | 147.1 |
10 (C) | 36.7 |
11 (CH) | 124.3 |
12 (CH) | 123.9 |
13 (C) | 145.6 |
14 (CH) | 126.8 |
15 (CH) | 33.4 |
16 (CH3) | 24 |
17 (CH3) | 24 |
18 (CH2) | 72.2 |
19 (CH3) | 17.5 |
20 (CH3) | 25.4 |
18a (C) | 174.1 |
18b (CH2) | 34.4 |
18c (CH2) | 25.1 |
18d (CH2) | 29.7 |
18e (CH2) | 29.7 |
18f (CH2) | 29.7 |
18g (CH2) | 29.7 |
18h (CH2) | 29.7 |
18i (CH2) | 29.7 |
18j (CH2) | 29.2 |
18k (CH2) | 29.2 |
18l (CH2) | 29.2 |
18m (CH2) | 29.2 |
18n (CH2) | 31.9 |
18o (CH2) | 22.7 |
18p (CH3) | 14.1 |