(13S)-14alpha-Hydroxy-13,15-epoxyabieta-7-ene-18-oic acid

(13S)-14alpha-Hydroxy-13,15-epoxyabieta-7-ene-18-oic acid

Common Name: (13S)-14alpha-Hydroxy-13,15-epoxyabieta-7-ene-18-oic acid

Synonyms: (13S)-14alpha-Hydroxy-13,15-epoxyabieta-7-ene-18-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-17(2)20(24-17)11-8-13-12(15(20)21)6-7-14-18(13,3)9-5-10-19(14,4)16(22)23/h6,13-15,21H,5,7-11H2,1-4H3,(H,22,23)/t13-,14+,15+,18+,19+,20-/m0/s1

InChIKey: InChIKey=VFKLXGNRMIEZHU-HZTOIDEUSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Gimenez-Arnau, E., Haberkom, L., Grossi, L., Lepoittevin, J.P. Tetrahedron (2008) 64, 5680-91

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) 38.2
2 (CH2) 18.3
3 (CH2) 37.5
4 (C) 46.5
5 (CH) 45.2
6 (CH2) 25.7
7 (CH) 123.8
8 (C) 137.5
9 (CH) 50.5
10 (C) 35.1
11 (CH2) 19.4
12 (CH2) 26.7
13 (C) 66.5
14 (CH) 70.8
15 (C) 63.1
16 (CH3) 22.2
17 (CH3) 20.3
18 (C) 183.5
19 (CH3) 16.9
20 (CH3) 14.2