Methyl 2,19;15,16-diepoxy-neo-clerodan-3,13(16),14-trien-18-oate

Methyl 2,19;15,16-diepoxy-neo-clerodan-3,13(16),14-trien-18-oate

Common Name: Methyl 2,19;15,16-diepoxy-neo-clerodan-3,13(16),14-trien-18-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H28O4/c1-14-4-8-21-13-25-16(10-17(21)19(22)23-3)11-18(21)20(14,2)7-5-15-6-9-24-12-15/h6,9-10,12,14,16,18H,4-5,7-8,11,13H2,1-3H3/t14-,16+,18-,20+,21-/m1/s1

InChIKey: InChIKey=YGUFDNBHUGMQGQ-AGNNOJMTSA-N

Formula: C21H28O4

Molecular Weight: 344.445415

Exact Mass: 344.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Juan Hikawczuk V.E., Rossomando P.C., Giordano O.S., Saad J.R. Phytochemistry (2002) 61, 389-94

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) 28.2
2 (CH) 66.2
3 (CH) 139.3
4 (C) 143.1
5 (C) 39.6
6 (CH2) 18.3
7 (CH2) 27
8 (CH) 36.4
9 (C) 39.3
10 (CH) 38.3
11 (CH2) 39.7
12 (CH2) 28.9
13 (C) 125.3
14 (CH) 110.9
15 (CH) 142.7
16 (CH) 138.3
17 (CH3) 15.7
18 (C) 165.3
19 (CH2) 68
20 (CH3) 16.5
18a (CH3) 51.5