Diacetate of 3b,11-Dihydroxy-12-Methoxyabieta-8,11,13-trien-7-one

Diacetate of 3b,11-Dihydroxy-12-Methoxyabieta-8,11,13-trien-7-one

Common Name: Diacetate of 3b,11-Dihydroxy-12-Methoxyabieta-8,11,13-trien-7-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H34O6/c1-13(2)16-11-17-18(28)12-19-24(5,6)20(30-14(3)26)9-10-25(19,7)21(17)23(22(16)29-8)31-15(4)27/h11,13,19-20H,9-10,12H2,1-8H3/t19-,20-,25-/m0/s1

InChIKey: InChIKey=SRLXGSFGZBQLOH-RLSLOFABSA-N

Formula: C25H34O6

Molecular Weight: 430.534813

Exact Mass: 430.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Monacelli, B., Pasqua, G., Botta, B., Vinciguerra, V., Gacs-Baitz, E., Monache, G.D. Planta Med (2002) 68, 764-6

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) 35.07
2 (CH2) 24.08
3 (CH) 79.18
4 (C) 39.82
5 (CH) 49.24
6 (CH2) 35.15
7 (C) 197.3
8 (C) 128.34
9 (C) 141.83
10 (C) 38.03
11 (C) 145.29
12 (C) 154.75
13 (C) 143.64
14 (CH) 124.56
15 (CH) 26.74
16 (CH3) 23.42
17 (CH3) 23.21
18 (CH3) 27.73
19 (CH3) 14.12
20 (CH3) 16.23
3a (C) 170.71
3b (CH3) 21.22
11a (C) 168.62
11b (CH3) 21.12
12a (CH3) 61.52