Methyl ent-12β-Acetoxy-17-oxokaur-15-en-19-oate

Methyl ent-12β-Acetoxy-17-oxokaur-15-en-19-oate

Common Name: Methyl ent-12β-Acetoxy-17-oxokaur-15-en-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H32O5/c1-14(25)28-17-10-19-21(2)7-5-8-22(3,20(26)27-4)18(21)6-9-23(19)11-15(13-24)16(17)12-23/h11,13,16-19H,5-10,12H2,1-4H3/t16?,17-,18-,19-,21+,22+,23+/m0/s1

InChIKey: InChIKey=QXNVDWGXUGYHNS-DSHXXCSWSA-N

Formula: C23H32O5

Molecular Weight: 388.498054

Exact Mass: 388.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2004) 67, 614-21

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) 40.4
2 (CH2) 18.8
3 (CH2) 37.78
4 (C) 43.8
5 (CH) 56.2
6 (CH2) 20.1
7 (CH2) 37.78
8 (C) 49.7
9 (CH) 46.2
10 (C) 38.4
11 (CH2) 24.6
12 (CH) 68
13 (CH) 42.3
14 (CH2) 36.6
15 (CH) 163.4
16 (C) 147.1
17 (CH) 188.4
18 (CH3) 28.7
19 (C) 177.7
20 (CH3) 13.3
12a (C) 170.1
12b (CH3) 21.4
19a (CH3) 51.3