11R*-Acetoxy-2-oxokolavenic acid

11R*-Acetoxy-2-oxokolavenic acid

Common Name: 11R*-Acetoxy-2-oxokolavenic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-13(10-20(25)26)9-19(27-16(4)23)22(6)14(2)7-8-21(5)15(3)11-17(24)12-18(21)22/h10-11,14,18-19H,7-9,12H2,1-6H3,(H,25,26)/b13-10+/t14-,18+,19-,21+,22+/m1/s1

InChIKey: InChIKey=OGJIWAKJLZXQIS-UCRSWXCBSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Oliveira, P.M., Ferreira, A.A., Silveira, D., Alves, R.B., Rodrigues, G.V., Emerenciano, V.P., Raslan, D.S. J Nat Prod (2005) 68, 588-91

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 35.9
2 (C) 199.2
3 (CH) 125.5
4 (C) 172.2
5 (C) 40.1
6 (CH2) 35.5
7 (CH2) 27.6
8 (CH) 36.2
9 (C) 43.4
10 (CH) 46
11 (CH) 74.4
12 (CH2) 42
13 (C) 158.6
14 (CH) 118.3
15 (C) 170.4
16 (CH3) 19
17 (CH3) 17.6
18 (CH3) 19.1
19 (CH3) 18.7
20 (CH3) 12.2
11a (C) 170.7
11b (CH3) 20.7