ent-(5β,8α,9β,10α,11α,12α)-3,14-Dioxoatis-16-en-11-yl Acetate

ent-(5β,8α,9β,10α,11α,12α)-3,14-Dioxoatis-16-en-11-yl Acetate

Common Name: ent-(5β,8α,9β,10α,11α,12α)-3,14-Dioxoatis-16-en-11-yl Acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-12-11-22-9-6-15-20(3,4)16(24)7-8-21(15,5)19(22)18(26-13(2)23)14(12)10-17(22)25/h14-15,18-19H,1,6-11H2,2-5H3/t14-,15-,18-,19+,21-,22-/m1/s1

InChIKey: InChIKey=IZSBFHPJUCBKRO-JDDYQBOKSA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - He, F., Pu, J.X., Huang, S.X., Xiao, W.L., Yang, L.B., Li, X.N., Zhao, Y., Ding, J., Xu, C.H., Sun, H.D. Helv Chim Acta (2008) 91, 2139-47

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) 38.6
2 (CH2) 33.9
3 (C) 216.4
4 (C) 47.7
5 (CH) 56
6 (CH2) 20.2
7 (CH2) 30.8
8 (C) 48.5
9 (CH) 56.1
10 (C) 38.5
11 (CH) 71.4
12 (CH) 42.7
13 (CH2) 38.2
14 (C) 214.8
15 (CH2) 42.7
16 (C) 142.2
17 (CH2) 111
18 (CH3) 26.8
19 (CH3) 21.5
20 (CH3) 16.1
11a (C) 169.6
11b (CH3) 21.7