1S*,5S*,7S*)-Guai-3,9-dien-5,11-oxide

1S*,5S*,7S*)-Guai-3,9-dien-5,11-oxide

Common Name: 1S*,5S*,7S*)-Guai-3,9-dien-5,11-oxide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C15H22O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h5-6,12-13H,7-9H2,1-4H3/t12-,13-,15+/m0/s1

InChIKey: InChIKey=KVJMJCYPKZHEPD-KCQAQPDRSA-N

Formula: C15H22O1

Molecular Weight: 218.33514

Exact Mass: 218.167065

NMR Solvent: C6D6

MHz:

Calibration:

NMR references: 13C - von Reuss, S.H., Wu, C.L., Muhle, H., Konig, W.A. Phytochemistry (2004) 65, 2277-91

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) 57.2
2 (CH2) 34.8
3 (CH) 123.3
4 (C) 145.9
5 (C) 94.3
6 (CH2) 33.9
7 (CH) 44.6
8 (CH2) 32.7
9 (CH) 120.6
10 (C) 135
11 (C) 83
12 (CH3) 31.6
13 (CH3) 25.7
14 (CH3) 26.2
15 (CH3) 11.8