(5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3-oxo-3,4-seco-2,4-cyclocleroda-2(4),13-diene-15-oic acid methyl ester

(5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3-oxo-3,4-seco-2,4-cyclocleroda-2(4),13-diene-15-oic acid methyl ester

Common Name: (5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3-oxo-3,4-seco-2,4-cyclocleroda-2(4),13-diene-15-oic acid methyl ester

Synonyms: (5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-3-oxo-3,4-seco-2,4-cyclocleroda-2(4),13-diene-15-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C23H34O5/c1-14(10-21(26)27-7)8-9-22(5)16(3)19(28-17(4)25)12-23(6)15(2)18(13-24)11-20(22)23/h10,13,16,19-20H,8-9,11-12H2,1-7H3/b14-10+/t16-,19-,20-,22+,23+/m1/s1

InChIKey: InChIKey=RYBWQXGDQMJOIS-XRXCJDGOSA-N

Formula: C23H34O5

Molecular Weight: 390.513936

Exact Mass: 390.240624

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - Tori, M., Katto, A., Sono, M. Phytochemistry (1999) 52, 487-93

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-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) 26.7
2 (C) 137
3 (CH) 187.2
4 (C) 168.7
5 (C) 49.7
6 (CH2) 38.2
7 (CH) 75
8 (CH) 40.2
9 (C) 37.7
10 (CH) 54
11 (CH2) 38.8
12 (CH2) 34.8
13 (C) 160.2
14 (CH) 115.8
15 (C) 166.8
16 (CH3) 19
17 (CH3) 10.9
18 (CH3) 9
19 (CH3) 19
20 (CH3) 18.1
7a (C) 169.4
7b (CH3) 20.8
15a (CH3) 50.5