7-Hydroxy-13,15-dihydroxyabieta-8(14)-ene-18-oic acid

7-Hydroxy-13,15-dihydroxyabieta-8(14)-ene-18-oic acid

Common Name: 7-Hydroxy-13,15-dihydroxyabieta-8(14)-ene-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O5/c1-17(2,24)20(25)9-6-13-12(11-20)14(21)10-15-18(13,3)7-5-8-19(15,4)16(22)23/h11,13-15,21,24-25H,5-10H2,1-4H3,(H,22,23)/t13-,14+,15+,18+,19+,20?/m1/s1

InChIKey: InChIKey=RSKXVFWGGCGVMM-OPCJYPSSSA-N

Formula: C20H32O5

Molecular Weight: 352.465847

Exact Mass: 352.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lu, T.S., Vargas, D., Franzblau, S.G., Fischer, N.H. Phytochemistry (1995) 38, 451-6

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) 37.7
2 (CH2) 18.5
3 (CH2) 37.9
4 (C) 43.6
5 (CH) 49.6
6 (CH2) 25.5
7 (CH) 72.5
8 (C) 149.5
9 (CH) 55.3
10 (C) 37.4
11 (CH2) 20.4
12 (CH2) 32.5
13 (C) 70.8
14 (CH) 124.5
15 (C) 76.7
16 (CH3) 28.8
17 (CH3) 28.3
18 (C) 182.4
19 (CH3) 28
20 (CH3) 13.2