(2R,5R,6R,7S)-Germacra-1(10)E,4(15)-dien-5-hydroperoxy-2,6-diol-2-acetate

(2R,5R,6R,7S)-Germacra-1(10)E,4(15)-dien-5-hydroperoxy-2,6-diol-2-acetate

Common Name: (2R,5R,6R,7S)-Germacra-1(10)E,4(15)-dien-5-hydroperoxy-2,6-diol-2-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H28O5/c1-10(2)15-7-6-11(3)8-14(21-13(5)18)9-12(4)17(22-20)16(15)19/h8,10,14-17,19-20H,4,6-7,9H2,1-3,5H3/b11-8+/t14-,15-,16+,17-/m0/s1

InChIKey: InChIKey=YOWABXYMBGIQEY-ICZQKXFSSA-N

Formula: C17H28O5

Molecular Weight: 312.401876

Exact Mass: 312.193674

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Appendino, G., Aviello, G., Ballero, M., Borrelli, F., Fattorusso, E., Petrucci, F., Santelia, F.U., Taglialatela-Scafati, O. J Nat Prod (2005) 68, 853-7

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) 123.8
2 (CH) 71.9
3 (CH2) 41
4 (C) 138.8
5 (CH) 90.7
6 (CH) 70.1
7 (CH) 42
8 (CH2) 29.7
9 (CH2) 35.6
10 (C) 142.5
11 (CH) 31.6
12 (CH3) 21.2
13 (CH3) 21.3
14 (CH3) 21.4
15 (CH2) 119
2a (C) 170.5
2b (CH3) 21.1