(4s,6r,7s,8s,10r)-1-Oxo-3,10-epoxy-8-(2,3-epoxypropanyloxy)-germacra-2,11(13)-diene-6,12-olide

(4s,6r,7s,8s,10r)-1-Oxo-3,10-epoxy-8-(2,3-epoxypropanyloxy)-germacra-2,11(13)-diene-6,12-olide

Common Name: (4s,6r,7s,8s,10r)-1-Oxo-3,10-epoxy-8-(2,3-epoxypropanyloxy)-germacra-2,11(13)-diene-6,12-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H22O7/c1-9-5-12-15(10(2)16(21)24-12)13(25-17(22)19(4)8-23-19)7-18(3)14(20)6-11(9)26-18/h6,9,12-13,15H,2,5,7-8H2,1,3-4H3/t9-,12+,13-,15-,18+,19-/m0/s1

InChIKey: InChIKey=NTSFKFFJZBAIPQ-ITMNWECSSA-N

Formula: C19H22O7

Molecular Weight: 362.374513

Exact Mass: 362.136553

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vichnewski, W., Takahashi, A.M., Nasi, A.M.T., Goncalves, D.C.R.G., Dias, D.A., Lopes, J.N.C., Goedken, V.L., Gutierrez, A.B., Herz, W. Phytochemistry (1989) 28, 1441-51

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 (C) 204.7
2 (CH) 105.6
3 (C) 192.4
4 (CH) 33.5
5 (CH2) 42.3
6 (CH) 82
7 (CH) 54.2
8 (CH) 75.2
9 (CH2) 45.1
10 (C) 89.8
11 (C) 133.6
12 (C) 168.3
13 (CH2) 124.2
14 (CH3) 21.1
15 (CH3) 18.4
8a (C) 170.3
8b (C) 53.5
8c (CH3) 17.2
8d (CH2) 52.5