ent-(3α,5β,8α,9β,10α,11α,12α)-3,11-Dihydroxyatis-16-en-14-one

ent-(3α,5β,8α,9β,10α,11α,12α)-3,11-Dihydroxyatis-16-en-14-one

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/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/h12-14,16-17,21,23H,1,5-10H2,2-4H3/t12-,13-,14-,16-,17+,19-,20-/m1/s1

InChIKey: InChIKey=DANKJEUMEWZQRC-HFZISQAISA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

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) 38.3
2 (CH2) 27.1
3 (CH) 79
4 (C) 39.2
5 (CH) 55.6
6 (CH2) 19
7 (CH2) 31.4
8 (C) 48.8
9 (CH) 58.1
10 (C) 39
11 (CH) 70.8
12 (CH) 48.1
13 (CH2) 38
14 (C) 216.5
15 (CH2) 43.1
16 (C) 144.6
17 (CH2) 109.1
18 (CH3) 28.5
19 (CH3) 16
20 (CH3) 15.5