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

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

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

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=BPMWBOSKRGOILK-FFLKSDMVSA-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) 32.1
2 (CH2) 18.1
3 (CH2) 40.7
4 (C) 34.2
5 (CH) 39.6
6 (CH2) 33.5
7 (CH) 66.6
8 (C) 145.1
9 (C) 215.2
10 (C) 54.9
11 (CH) 78.1
12 (CH2) 35.6
13 (CH) 41.2
14 (CH) 158.4
15 (C) 193.6
16 (C) 149.1
17 (CH2) 112.9
18 (CH3) 33.6
19 (CH3) 22.2
20 (CH3) 18.1
7a (C) 169.9
7b (CH3) 21.1