ent-16α-Hydroxy-atisane-3,4-lactone

ent-16α-Hydroxy-atisane-3,4-lactone

Common Name: ent-16α-Hydroxy-atisane-3,4-lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-17(2)14-6-10-20-9-5-13(19(4,22)12-20)11-15(20)18(14,3)8-7-16(21)23-17/h13-15,22H,5-12H2,1-4H3/t13-,14+,15-,18+,19-,20+/m0/s1

InChIKey: InChIKey=BRAOSVPITSNBCN-NJQZYEBPSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Wang, Z.C., Lin, Y.M., Feng, D.Q., Ke, C.H., Lin, P., Yan, C.L., Chen, J.D. Molecules (2009) 14, 414-22

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) 35.3
2 (CH2) 31.2
3 (C) 175.1
4 (C) 86
5 (CH) 55.7
6 (CH2) 22.1
7 (CH2) 38.3
8 (C) 33.2
9 (CH) 49.7
10 (C) 40
11 (CH2) 23.3
12 (CH) 37.5
13 (CH2) 23.2
14 (CH2) 26.3
15 (CH2) 56.6
16 (C) 71.3
17 (CH3) 30
18 (CH3) 24.6
19 (CH3) 32.7
20 (CH3) 14.4