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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O2/c1-12-11-20-8-5-14-18(2,3)16(21)6-7-19(14,4)15(20)9-13(12)10-17(20)22/h13-16,21H,1,5-11H2,2-4H3/t13-,14-,15+,16-,19-,20+/m1/s1

InChIKey: InChIKey=RHFPOIFDOFJBTB-HDRHIQQSSA-N

Formula: C20H30O2

Molecular Weight: 302.45175

Exact Mass: 302.22458

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) 36.7
2 (CH2) 26.8
3 (CH) 78.9
4 (C) 38.7
5 (CH) 54.6
6 (CH2) 18.9
7 (CH2) 31.5
8 (C) 47.8
9 (CH) 52.7
10 (C) 37.8
11 (CH2) 27.8
12 (CH) 38.4
13 (CH2) 44.5
14 (C) 216.8
15 (CH2) 42.8
16 (C) 147.5
17 (CH2) 106.8
18 (CH3) 28.3
19 (CH3) 15.5
20 (CH3) 13.2