ent-9,8-Seco-7α-hydroxt-11-acetoxykaura-8(14),16-dien-9,15-dione

ent-9,8-Seco-7α-hydroxt-11-acetoxykaura-8(14),16-dien-9,15-dione

Common Name: ent-9,8-Seco-7α-hydroxt-11-acetoxykaura-8(14),16-dien-9,15-dione

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O5/c1-12-14-9-15(19(12)25)16(24)11-18-21(3,4)7-6-8-22(18,5)20(26)17(10-14)27-13(2)23/h9,14,16-18,24H,1,6-8,10-11H2,2-5H3/t14-,16-,17+,18-,22-/m1/s1

InChIKey: InChIKey=WJAMERXGFWVGIW-RMZWBFLNSA-N

Formula: C22H30O5

Molecular Weight: 374.471437

Exact Mass: 374.209324

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Perry, N.B., Burgess, E.J., Baek, S.H., Weavers, R.T., Geis, W., Mauer, A.B. Phytochemistry (1999) 50, 423-33

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) 31.8
2 (CH2) 17.9
3 (CH2) 41.5
4 (C) 34.3
5 (CH) 40.6
6 (CH2) 32.4
7 (CH) 63.8
8 (C) 148.5
9 (C) 212.2
10 (C) 54.7
11 (CH) 77.7
12 (CH2) 37.1
13 (CH) 41
14 (CH) 159.1
15 (C) 194.7
16 (C) 148.2
17 (CH2) 113
18 (CH3) 34.1
19 (CH3) 22.2
20 (CH3) 18.3
11a (C) 169.1
11b (CH3) 20.8