17-Hydroxy-ent-atisan-19-oic Acid

17-Hydroxy-ent-atisan-19-oic Acid

Common Name: 17-Hydroxy-ent-atisan-19-oic Acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-18-6-3-7-19(2,17(22)23)15(18)5-9-20-8-4-13(10-16(18)20)14(11-20)12-21/h13-16,21H,3-12H2,1-2H3,(H,22,23)/t13-,14+,15-,16-,18+,19+,20+/m0/s1

InChIKey: InChIKey=DCOUNUNOWWJFAA-NQOFJFAASA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Du, Z.Z., He, H.P., Wu, B., Shen, Y.M., Hao, X.J. Helv Chim Acta (2004) 87, 758-63

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) 40.7
2 (CH2) 19.1
3 (CH2) 37.8
4 (C) 43.7
5 (CH) 57
6 (CH2) 22.4
7 (CH2) 41.6
8 (C) 44.8
9 (CH) 55.3
10 (C) 39.6
11 (CH2) 18.9
12 (CH) 38.2
13 (CH2) 37.2
14 (CH2) 31.4
15 (CH2) 45
16 (CH) 43.3
17 (CH2) 67.5
18 (CH3) 29
19 (C) 183.7
20 (CH3) 15.6