ent-(5β,8α,9β,10α,11α,12α)-11-Hydroxyatis-16-ene-3,14-dione

ent-(5β,8α,9β,10α,11α,12α)-11-Hydroxyatis-16-ene-3,14-dione

Common Name: ent-(5β,8α,9β,10α,11α,12α)-11-Hydroxyatis-16-ene-3,14-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-11-10-20-8-5-13-18(2,3)14(21)6-7-19(13,4)17(20)16(23)12(11)9-15(20)22/h12-13,16-17,23H,1,5-10H2,2-4H3/t12-,13-,16-,17+,19-,20-/m1/s1

InChIKey: InChIKey=ONJRISGOJDDBNB-GURBOLKESA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

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) 34.4
3 (C) 217
4 (C) 47.9
5 (CH) 56.7
6 (CH2) 20.2
7 (CH2) 31
8 (C) 48.7
9 (CH) 57.1
10 (C) 38.9
11 (CH) 70.7
12 (CH) 48.4
13 (CH2) 38.1
14 (C) 216
15 (CH2) 42.9
16 (C) 144.2
17 (CH2) 109.5
18 (CH3) 26.4
19 (CH3) 21.8
20 (CH3) 15.6