7α-Methoxyabieta-8,13-diene-11,12-dione-(20,6β)-olide

7α-Methoxyabieta-8,13-diene-11,12-dione-(20,6β)-olide

Common Name: 7α-Methoxyabieta-8,13-diene-11,12-dione-(20,6β)-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H26O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18H,6-8H2,1-5H3/t16-,17-,18-,21+/m0/s1

InChIKey: InChIKey=CEYZNONDZLXUNG-RYLXDESZSA-N

Formula: C21H26O5

Molecular Weight: 358.428938

Exact Mass: 358.178024

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mahmoud, A.A., Al-Shihry, S.S., Son, B.W. Phytochemistry (2005) 66, 1685-90

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) 25.1
2 (CH2) 18.3
3 (CH2) 38
4 (C) 31.1
5 (CH) 50.2
6 (CH) 72.4
7 (CH) 77.6
8 (C) 145.6
9 (C) 138.2
10 (C) 45.8
11 (C) 179.5
12 (C) 180
13 (C) 150.1
14 (CH) 133.5
15 (CH) 27.5
16 (CH3) 21.3
17 (CH3) 21.2
18 (CH3) 31.4
19 (CH3) 21.9
20 (C) 175.5
7a (CH3) 59.5