19-Hydroxy-cis-cleroda-3,13E-dien-15-oic acid (ent-5a form)

19-Hydroxy-cis-cleroda-3,13E-dien-15-oic acid (ent-5a form)

Common Name: 19-Hydroxy-cis-cleroda-3,13E-dien-15-oic acid (ent-5a form)

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-14(12-18(22)23)8-10-19(4)15(2)9-11-20(13-21)16(3)6-5-7-17(19)20/h6,12,15,17,21H,5,7-11,13H2,1-4H3,(H,22,23)/b14-12+/t15-,17-,19+,20+/m1/s1

InChIKey: InChIKey=PVBKHWHXNRGSBL-CMOYGFMLSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tojo, E., Rial, M.E., Urzua, A., Mendoza, L. Phytochemistry (1999) 52, 1531-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 18.2
2 (CH2) 24.7
3 (CH) 127.6
4 (C) 136.1
5 (C) 42.8
6 (CH2) 31.8
7 (CH2) 28.6
8 (CH) 37.3
9 (C) 40.5
10 (CH) 40.4
11 (CH2) 36.2
12 (CH2) 35.1
13 (C) 165
14 (CH) 115
15 (C) 171.7
16 (CH3) 19.9
17 (CH3) 16.3
18 (CH3) 20.7
19 (CH2) 71.6
20 (CH3) 17.9