(3α,5ξ,7β,8α,9β,10α,13α,16β)-7,19-Dihydroxykauran-3-yl acetate

(3α,5ξ,7β,8α,9β,10α,13α,16β)-7,19-Dihydroxykauran-3-yl acetate

Common Name: (3α,5ξ,7β,8α,9β,10α,13α,16β)-7,19-Dihydroxykauran-3-yl acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H36O4/c1-13-10-22-11-15(13)5-6-16(22)20(3)8-7-19(26-14(2)24)21(4,12-23)17(20)9-18(22)25/h13,15-19,23,25H,5-12H2,1-4H3/t13-,15+,16-,17-,18-,19+,20-,21+,22-/m0/s1

InChIKey: InChIKey=JWUAIIVBGCJTHN-XDEQFENMSA-N

Formula: C22H36O4

Molecular Weight: 364.519677

Exact Mass: 364.26136

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Bruno, M., Rosselli, S., Pibiri, I., Piozzi, F., Bondi, M.L., Simmonds, M.S. Phytochemistry (2001) 58, 463-74

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 38.4
2 (CH2) 23.4
3 (CH) 74.5
4 (C) 41.6
5 (CH) 37.3
6 (CH2) 26.5
7 (CH) 77
8 (C) 48.5
9 (CH) 51.5
10 (C) 38.4
11 (CH2) 18.3
12 (CH2) 26.3
13 (CH) 39.5
14 (CH2) 39.8
15 (CH2) 44.3
16 (CH) 34.4
17 (CH3) 15.6
18 (CH2) 64.2
19 (CH3) 12.7
20 (CH3) 18.1
3a (C) 171.7
3b (CH3) 21.2