ent-8,9-seco-7α,11β-Diacetoxykaura-8(14),16-dien-9,15-dione

ent-8,9-seco-7α,11β-Diacetoxykaura-8(14),16-dien-9,15-dione

Common Name: ent-8,9-seco-7α,11β-Diacetoxykaura-8(14),16-dien-9,15-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O6/c1-13-16-10-17(21(13)27)18(29-14(2)25)12-20-23(4,5)8-7-9-24(20,6)22(28)19(11-16)30-15(3)26/h10,16,18-20H,1,7-9,11-12H2,2-6H3/t16-,18+,19-,20+,24+/m0/s1

InChIKey: InChIKey=REDVWPQXGVFYQX-AYQBYMDZSA-N

Formula: C24H32O6

Molecular Weight: 416.508195

Exact Mass: 416.219889

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) 32.3
2 (CH2) 17.8
3 (CH2) 41.4
4 (C) 34.2
5 (CH) 40.4
6 (CH2) 32.3
7 (CH) 66.3
8 (C) 145
9 (C) 212.1
10 (C) 54.6
11 (CH) 77.6
12 (CH2) 31.7
13 (CH) 41
14 (CH) 159.3
15 (C) 193.5
16 (C) 147.8
17 (CH2) 112.9
18 (CH3) 33.8
19 (CH3) 22
20 (CH3) 18.2
7a (C) 169
7b (CH3) 20.6
11a (C) 169.7
11b (CH3) 20.9