9a-Acetoxycumambrin A (Conformation A at -51C)

9a-Acetoxycumambrin A (Conformation A at -51C)

Common Name: 9a-Acetoxycumambrin A (Conformation A at -51C)

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H24O7/c1-8-6-7-12-13(8)15-14(9(2)18(22)26-15)16(24-10(3)20)17(19(12,5)23)25-11(4)21/h6,12-17,23H,2,7H2,1,3-5H3/t12-,13+,14+,15-,16+,17-,19+/m1/s1

InChIKey: InChIKey=ZYEPXKNEJAIFAP-WHMAEPELSA-N

Formula: C19H24O7

Molecular Weight: 364.390395

Exact Mass: 364.152203

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vajs, V., Todorovic, N., Bulatovic, V.B., Menkovic, N., Macura, S., Juranic, N., Milosavljevic, S. Phytochemistry (2000) 54, 625-33

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 (CH) 42.4
2 (CH2) 33.7
3 (CH) 127.7
4 (C) 139
5 (CH) 52.9
6 (CH) 80.4
7 (CH) 42.3
8 (CH) 71.5
9 (CH) 78.4
10 (C) 73.7
11 (C) 134.8
12 (C) 169.9
13 (CH2) 125.6
14 (CH3) 21.7
15 (CH3) 16.7
8a (C) 171
8b (CH3) 21.3
9a (C) 171
9b (CH3) 21.3