Common Name: (12R)15,16-Diacetoxy-neo-cleroda-4(18),13E-dien-12-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(27)20(15-29-19(4)26)11-13-28-18(3)25/h11,17,21-22,27H,1,7-10,12-15H2,2-6H3/b20-11+/t17-,21+,22+,23+,24+/m1/s1
InChIKey: InChIKey=KNUQLEMGQJTBTH-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)
Position | PPM |
---|---|
1 (CH2) | 22.3 |
2 (CH2) | 28.5 |
3 (CH2) | 33.1 |
4 (C) | 159.7 |
5 (C) | 40.1 |
6 (CH2) | 37.3 |
7 (CH2) | 27.7 |
8 (CH) | 37.9 |
9 (C) | 40.3 |
10 (CH) | 49.2 |
11 (CH2) | 43.8 |
12 (CH) | 71.5 |
13 (C) | 143.2 |
14 (CH) | 124.8 |
15 (CH2) | 59.5 |
16 (CH2) | 60.5 |
17 (CH3) | 16.5 |
18 (CH2) | 102.8 |
19 (CH3) | 20.8 |
20 (CH3) | 18 |
15a (C) | 170.7 |
15b (CH3) | 20.8 |
16a (C) | 170.7 |
16b (CH3) | 20.8 |