6a,19-Diacetoxy-4a,18-epoxy-13,14,15,16-tetranor-neo-clerodan-12,20-anhydride

6a,19-Diacetoxy-4a,18-epoxy-13,14,15,16-tetranor-neo-clerodan-12,20-anhydride

Common Name: 6a,19-Diacetoxy-4a,18-epoxy-13,14,15,16-tetranor-neo-clerodan-12,20-anhydride

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O8/c1-11-7-15(27-13(3)22)20(10-25-12(2)21)14(5-4-6-18(20)9-26-18)19(11)8-16(23)28-17(19)24/h11,14-15H,4-10H2,1-3H3/t11-,14-,15+,18+,19-,20+/m1/s1

InChIKey: InChIKey=YXMYQDZGBUGMND-ALZSSYOZSA-N

Formula: C20H26O8

Molecular Weight: 394.416417

Exact Mass: 394.162768

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57

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) 22.3
2 (CH2) 24.6
3 (CH2) 31.9
4 (C) 64.6
5 (C) 45.1
6 (CH) 71.2
7 (CH2) 32.1
8 (CH) 37.7
9 (C) 52.6
10 (CH) 51.4
11 (CH2) 41.6
12 (C) 170
17 (CH3) 16
18 (CH2) 48.3
19 (CH2) 61.3
20 (C) 168.6
6a (C) 171.7
6b (CH3) 21.1
19a (C) 170.3
19b (CH3) 21