(1S,4S,7R,10R)-5-Guaien-13-acetoxy-11-ol

(1S,4S,7R,10R)-5-Guaien-13-acetoxy-11-ol

Common Name: (1S,4S,7R,10R)-5-Guaien-13-acetoxy-11-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C17H28O4/c1-11-5-6-15-14(11)9-13(7-8-16(15,3)19)17(4,20)10-21-12(2)18/h9,11,13,15,19-20H,5-8,10H2,1-4H3/t11-,13-,15+,16+,17?/m1/s1

InChIKey: InChIKey=JYGXGTWMVDIEDA-XRUFJMITSA-N

Formula: C17H28O4

Molecular Weight: 296.402471

Exact Mass: 296.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Miyazawa, M., Honjo, Y., Kameoka, H. Phytochemistry (1998) 49, 1283-5

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) 49.49
2 (CH2) 26.15
3 (CH2) 33.48
4 (CH) 40.51
5 (C) 151.52
6 (CH) 119.01
7 (CH) 47.85
8 (CH2) 21.01
9 (CH2) 41.45
10 (C) 76.87
11 (C) 75.83
12 (CH3) 20.91
13 (CH2) 70.07
14 (CH3) 19.8
15 (CH3) 25.55
13a (C) 171.14
13b (CH3) 21.38