Abieta-8(14),9(11),12-triene-18-ol hexadecanoate

Abieta-8(14),9(11),12-triene-18-ol hexadecanoate

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)

Carbon NMR Peaks

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