1,10-Dioxo-1,10-deoxy-1,10-secogorgonolide

1,10-Dioxo-1,10-deoxy-1,10-secogorgonolide

Common Name: 1,10-Dioxo-1,10-deoxy-1,10-secogorgonolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H18O5/c1-7(16)4-5-10-8(2)15(19)20-14(10)13-9(3)11(17)6-12(13)18/h8,10,14H,4-6H2,1-3H3/t8-,10+,14+/m0/s1

InChIKey: InChIKey=OEIXSGHSUKFZJN-LLHLLMPMSA-N

Formula: C15H18O5

Molecular Weight: 278.300997

Exact Mass: 278.115424

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ortet, R., Prado, S., Mouray, E., Thomas, O.P. Phytochemistry (2008) 69, 2961-5

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) 198.5
2 (CH2) 41.2
3 (C) 199.4
4 (C) 158.6
5 (C) 152.9
6 (CH) 75.5
7 (CH) 47.8
8 (CH2) 25.4
9 (CH2) 40.3
10 (C) 207
11 (CH) 41.4
12 (C) 177.7
13 (CH3) 15.2
14 (CH3) 30.1
15 (CH3) 9.7