7-Oxo-16-hydroxy-ent-clerod-3-en-15-oic acid methyl ester-18,-19-olide

7-Oxo-16-hydroxy-ent-clerod-3-en-15-oic acid methyl ester-18,-19-olide

Common Name: 7-Oxo-16-hydroxy-ent-clerod-3-en-15-oic acid methyl ester-18,-19-olide

Synonyms: 7-Oxo-16-hydroxy-ent-clerod-3-en-15-oic acid methyl ester-18,-19-olide

CAS Registry Number:

InChI: InChI=1S/C21H30O6/c1-13-16(23)10-21-12-27-19(25)15(21)5-4-6-17(21)20(13,2)8-7-14(11-22)9-18(24)26-3/h5,13-14,17,22H,4,6-12H2,1-3H3/t13-,14?,17-,20+,21-/m1/s1

InChIKey: InChIKey=LOJULOSPWTXYPL-ZOXDONLSSA-N

Formula: C21H30O6

Molecular Weight: 378.460106

Exact Mass: 378.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Guo, Y., Li, Y., Xu, J., Watanabe, R., Oshima, Y., Yamakuni, T., Ohizumi, Y. J Nat Prod (2006) 69, 274-6

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) 20.3
2 (CH2) 27.5
3 (CH) 137.6
4 (C) 136.2
5 (C) 43.9
6 (CH2) 50.6
7 (C) 210.1
8 (CH) 51.5
9 (C) 48.2
10 (CH) 47.7
11 (CH2) 35.1
12 (CH2) 23.9
13 (CH) 37.9
14 (CH2) 36.3
15 (C) 173.7
16 (CH2) 64.8
17 (CH3) 7.7
18 (C) 168.3
19 (CH2) 71.3
20 (CH3) 19.2
15a (CH3) 51.8