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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O5S/c1-12-6-8-15(9-7-12)28(25,26)27-18-19(23)21(3,4)16-11-14-10-13(2)17(16)22(14,5)20(18)24/h6-9,14,16-20,23-24H,2,10-11H2,1,3-5H3/t14-,16+,17-,18-,19-,20-,22+/m1/s1

InChIKey: InChIKey=SSMVANUGSRGDHJ-COKFUHGFSA-N

Formula: C22H30O5S1

Molecular Weight: 406.537522

Exact Mass: 406.181395

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) 32.5
2 (CH2) 35.7
3 (C) 156
4 (CH) 54
5 (CH) 54
6 (C) 38.2
7 (CH) 69.7
8 (CH) 85.2
9 (CH) 79.2
10 (C) 50.6
11 (CH) 43.3
12 (CH2) 103.5
13 (CH3) 26.7
14 (CH3) 21.5
15 (CH3) 24.6
1' (C) 145.4
2' (CH) 134
3' (CH) 130.1
4' (C) 128
5' (CH) 130.1
6' (CH) 134
7' (CH3) 21.7