(4R,5R,7S,8S,9S,10S,11S)-7,8,9-Triacetyloxyjiquilp-3(12)-ene

(4R,5R,7S,8S,9S,10S,11S)-7,8,9-Triacetyloxyjiquilp-3(12)-ene

Common Name: (4R,5R,7S,8S,9S,10S,11S)-7,8,9-Triacetyloxyjiquilp-3(12)-ene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O6/c1-10-8-14-9-15-16(10)21(14,7)19(27-13(4)24)17(25-11(2)22)18(20(15,5)6)26-12(3)23/h14-19H,1,8-9H2,2-7H3/t14-,15+,16-,17-,18-,19-,21+/m1/s1

InChIKey: InChIKey=ZMESIASPXJCZQJ-RKAUBWKTSA-N

Formula: C21H30O6

Molecular Weight: 378.460106

Exact Mass: 378.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Roman, L.U., Cerda-Garcia-Rojas, C.M., Guzman, R., Armenta, C., Hernandez, J.D., Joseph-Nathan, P. J Nat Prod (2002) 65, 1540-6

Species:

Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Jiquilpanes; 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 (CH2) 32.9
2 (CH2) 36
3 (C) 154.3
4 (CH) 54.6
5 (CH) 53.9
6 (C) 38.1
7 (CH) 72.1
8 (CH) 70.4
9 (CH) 77.9
10 (C) 50.7
11 (CH) 44.4
12 (CH2) 103.8
13 (CH3) 23.2
14 (CH3) 26.9
15 (CH3) 23.7
7a (C) 169.7
7b (CH3) 21.4
8a (C) 169.3
8b (CH3) 21.3
9a (C) 168.9
9b (CH3) 21.4