1β-Hydroxydehydroabietic acid

1β-Hydroxydehydroabietic acid

Common Name: 1β-Hydroxydehydroabietic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-12(2)13-5-7-15-14(11-13)6-8-16-19(3,18(22)23)10-9-17(21)20(15,16)4/h5,7,11-12,16-17,21H,6,8-10H2,1-4H3,(H,22,23)/t16-,17+,19+,20+/m0/s1

InChIKey: InChIKey=ZBSNELCVDQKODS-ONCXSQPRSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - van Beek, T.A., Claassen, F.W., Dorado, J., Godejohann, M., Sierra-Alvarez, R., Wijnberg, J.B. J Nat Prod (2007) 70, 154-9

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 (CH) 77.2
2 (CH2) 29.6
3 (CH2) 35.1
4 (C) 47.5
5 (CH) 44.7
6 (CH2) 21.7
7 (CH2) 30
8 (C) 135.5
9 (C) 146.7
10 (C) 43.4
11 (CH) 127.5
12 (CH) 124.5
13 (C) 146.4
14 (CH) 127.2
15 (CH) 33.8
16 (CH3) 24.4
17 (CH3) 24.4
18 (C) 185
19 (CH3) 16.3
20 (CH3) 18.7