Ent-7α-hydroxy-2-oxo-3-cleroden-15-oic acid

Ent-7α-hydroxy-2-oxo-3-cleroden-15-oic acid

Common Name: Ent-7α-hydroxy-2-oxo-3-cleroden-15-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-12(8-18(23)24)6-7-19(4)14(3)16(22)11-20(5)13(2)9-15(21)10-17(19)20/h9,12,14,16-17,22H,6-8,10-11H2,1-5H3,(H,23,24)/t12-,14+,16+,17+,19-,20-/m0/s1

InChIKey: InChIKey=DROWFFWPWNOZDP-OWTTWIIJSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mambu, L., Grellier, P., Florent, L., Joyeau, R., Ramanitrahasimbola, D., Rasoanaive, P., Frappier, F. Phytochemistry (2006) 67, 444-51

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) 34.7
2 (C) 200.6
3 (CH) 125
4 (C) 173.1
5 (C) 39.4
6 (CH2) 41.4
7 (CH) 73.3
8 (CH) 38.8
9 (C) 38.1
10 (CH) 45.9
11 (CH2) 35.9
12 (CH2) 29.2
13 (CH) 30.7
14 (CH2) 41.1
15 (C) 177
16 (CH3) 19.9
17 (CH3) 12.3
18 (CH3) 19
19 (CH3) 20.2
20 (CH3) 19.7