(6S,7R,8S)-8,15-Diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide

(6S,7R,8S)-8,15-Diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide

Common Name: (6S,7R,8S)-8,15-Diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H22O7/c1-11-18-16(25-13(3)22)7-14(9-20)5-4-6-15(10-24-12(2)21)8-17(18)26-19(11)23/h5,8-9,16-18H,1,4,6-7,10H2,2-3H3/b14-5+,15-8-/t16-,17+,18+/m0/s1

InChIKey: InChIKey=SNYUMMZVPJTQOU-KJYAUEFBSA-N

Formula: C19H22O7

Molecular Weight: 362.374513

Exact Mass: 362.136553

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Barrero, A.F., Oltra, J.E., Rodriguez-Garcia, I., Barragan, A., Alvarez, M. J Nat Prod (2000) 63, 305-7

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) 150.4
2 (CH2) 27.6
3 (CH2) 32.9
4 (C) 138.1
5 (CH) 129.3
6 (CH) 75.2
7 (CH) 48.6
8 (CH) 72.6
9 (CH2) 28.6
10 (C) 143.6
11 (C) 136
12 (C) 170.5
13 (CH2) 123.8
14 (CH) 193.6
15 (CH2) 62
8a (C) 170.4
8b (CH3) 21.3
15a (C) 169.3
15b (CH3) 20.8