6,12,14-Trihydroxy-9a-(2-oxopropyl)abieta-5,8(14),12-triene-7,11-dione

6,12,14-Trihydroxy-9a-(2-oxopropyl)abieta-5,8(14),12-triene-7,11-dione

Common Name: 6,12,14-Trihydroxy-9a-(2-oxopropyl)abieta-5,8(14),12-triene-7,11-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H30O6/c1-11(2)13-15(25)14-17(27)18(28)19-21(4,5)8-7-9-22(19,6)23(14,10-12(3)24)20(29)16(13)26/h11,25-26,28H,7-10H2,1-6H3/t22-,23+/m0/s1

InChIKey: InChIKey=NWHYUWBUXYIDNR-XZOQPEGZSA-N

Formula: C23H30O6

Molecular Weight: 402.481578

Exact Mass: 402.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2005) 68, 1408-11

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) 31.1
2 (CH2) 17.6
3 (CH2) 41
4 (C) 35.8
5 (C) 139.9
6 (C) 143.2
7 (C) 179.3
8 (C) 106.2
9 (C) 53.8
10 (C) 46.3
11 (C) 196.4
12 (C) 152.7
13 (C) 127.9
14 (C) 171.5
15 (CH) 24.9
16 (CH3) 19.7
17 (CH3) 19.3
18 (CH3) 30.3
19 (CH3) 27.4
20 (CH3) 52.9
21 (CH2) 24
22 (C) 204.9
23 (CH3) 30.1