ent-8,9-seco-8,14-Epoxy-7α-hydroxy-11β-acetoxy-16-kauren-9,15-dione

ent-8,9-seco-8,14-Epoxy-7α-hydroxy-11β-acetoxy-16-kauren-9,15-dione

Common Name: ent-8,9-seco-8,14-Epoxy-7α-hydroxy-11β-acetoxy-16-kauren-9,15-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O6/c1-11-13-9-14(27-12(2)23)18(26)21(5)8-6-7-20(3,4)15(21)10-16(24)22(17(11)25)19(13)28-22/h13-16,19,24H,1,6-10H2,2-5H3/t13-,14-,15+,16+,19+,21+,22-/m0/s1

InChIKey: InChIKey=SGVAXGGRQGLXKO-TUUMUHJWSA-N

Formula: C22H30O6

Molecular Weight: 390.470842

Exact Mass: 390.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Thongtan, J., Kittakoop, P., Ruangrungsi, N., Saenboonrueng, J., Thebtaranonth, Y. J Nat Prod (2003) 66, 868-70

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 32
2 (CH2) 17.7
3 (CH2) 41.5
4 (C) 34.5
5 (CH) 39
6 (CH2) 34.2
7 (CH) 61.8
8 (C) 64.7
9 (C) 211.6
10 (C) 54.3
11 (CH) 77.6
12 (CH2) 30.5
13 (CH) 38.7
14 (CH) 60.9
15 (C) 195.8
16 (C) 146.8
17 (CH2) 118.2
18 (CH3) 33.9
19 (CH3) 21.6
20 (CH3) 18.1
11a (C) 168.8
11b (CH3) 20.6