8a-(3'-Hydroxy-4'-acetoxy-2'-methylene-butanoyloxy)4-epi-sonchucarpolide

8a-(3'-Hydroxy-4'-acetoxy-2'-methylene-butanoyloxy)4-epi-sonchucarpolide

Common Name: 8a-(3'-Hydroxy-4'-acetoxy-2'-methylene-butanoyloxy)4-epi-sonchucarpolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H28O9/c1-10(14(25)9-29-12(3)24)20(27)30-15-7-22(4)16(26)6-5-13(8-23)18(22)19-17(15)11(2)21(28)31-19/h8,13-19,25-26H,1-2,5-7,9H2,3-4H3/t13-,14?,15+,16-,17-,18-,19+,22+/m1/s1

InChIKey: InChIKey=OTNZRRSVYLOHOL-HGCYAMTJSA-N

Formula: C22H28O9

Molecular Weight: 436.453175

Exact Mass: 436.173332

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Skaltsa, H., Lazari, D., Panagouleas, C., Georgiadou, E., Garcia, B., Sokovic, M. Phytochemistry (2000) 55, 903-8

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) 78
2 (CH2) 27.1
3 (CH2) 22.7
4 (CH) 44.9
5 (CH) 48.8
6 (CH) 76.1
7 (CH) 53.7
8 (CH) 69.7
9 (CH2) 43.8
10 (C) 41.5
11 (C) 136.4
12 (C) 171.5
13 (CH2) 120.8
14 (CH3) 13.9
15 (CH) 201.9
8a (C) 164.7
8b (C) 138.3
8c (CH) 69.7
8d (CH2) 67.1
8e (C) 175.1
8f (CH3) 20.6
8ba (CH2) 128.1