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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-12-9-19-8-5-13-17(2,3)15(21)6-7-18(13,4)14(19)10-20(12,23)11-16(19)22/h13-14,23H,1,5-11H2,2-4H3/t13-,14+,18-,19+,20+/m1/s1

InChIKey: InChIKey=AYVDFRGEQQJYJO-URYUKNHISA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

NMR Solvent: C+M

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) 36.7
2 (CH2) 33.7
3 (C) 215.8
4 (C) 47.1
5 (CH) 51.3
6 (CH2) 19.6
7 (CH2) 30.3
8 (C) 47.5
9 (CH) 54.6
10 (C) 37.1
11 (CH2) 34.7
12 (C) 71.7
13 (CH2) 41.5
14 (C) 212.5
15 (CH2) 50.6
16 (C) 148.2
17 (CH2) 104.2
18 (CH3) 25.6
19 (CH3) 21.5
20 (CH3) 12.4