(12R)12,16-Diacetoxy-neo-cleroda-4(18),13E-dien- 15-ol

(12R)12,16-Diacetoxy-neo-cleroda-4(18),13E-dien- 15-ol

Common Name: (12R)12,16-Diacetoxy-neo-cleroda-4(18),13E-dien- 15-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H38O5/c1-16-8-7-9-22-23(16,5)12-10-17(2)24(22,6)14-21(29-19(4)27)20(11-13-25)15-28-18(3)26/h11,17,21-22,25H,1,7-10,12-15H2,2-6H3/b20-11+/t17-,21+,22+,23+,24+/m1/s1

InChIKey: InChIKey=XKSHVSAIYAQZDQ-VSIUUFFDSA-N

Formula: C24H38O5

Molecular Weight: 406.556435

Exact Mass: 406.271924

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gordaliza, M., Delcorral, J.M.M., Delapuente, M.L., Sanfeliciano, A. Phytochemistry (1994) 36, 1453-6

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) 22.2
2 (CH2) 28.3
3 (CH2) 33
4 (C) 159.7
5 (C) 40.1
6 (CH2) 37.3
7 (CH2) 27.6
8 (CH) 38
9 (C) 40.2
10 (CH) 49.1
11 (CH2) 41.9
12 (CH) 72.7
13 (C) 137.1
14 (CH) 131.2
15 (CH2) 58.4
16 (CH2) 59.6
17 (CH3) 16.3
18 (CH2) 103.1
19 (CH3) 20.9
20 (CH3) 17.8
12a (C) 170
12b (CH3) 20.9
16a (C) 170.4
16b (CH3) 21.1