Common Name: Isojaponins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O7/c1-11-13-7-14(25)17-21(8-13,18(11)26)19(27)28-10-22(17)15(9-23)20(3,4)6-5-16(22)29-12(2)24/h13-18,23,25-26H,1,5-10H2,2-4H3/t13-,14+,15-,16+,17-,18-,21+,22+/m1/s1
InChIKey: InChIKey=KHLHJVGCDLVING-QDLLGXJDSA-N
Formula: C22H32O7
Molecular Weight: 408.486128
Exact Mass: 408.214803
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, L.B., Huang, S.X., Li, L.M., Zhao, Y., Lei, C., Xiao, W.L., Pu, J.X., Han, Q.B., Sun, H.D. Helv Chim Acta (2007) 90, 2375-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Trichorabales; 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 (CH) | 77.4 |
2 (CH2) | 24.9 |
3 (CH2) | 40.1 |
4 (C) | 34.1 |
5 (CH) | 54.1 |
6 (CH2) | 59.1 |
7 (C) | 175.9 |
8 (C) | 53.4 |
9 (CH) | 41.1 |
10 (C) | 44.2 |
11 (CH) | 65.8 |
12 (CH2) | 46 |
13 (CH) | 36.2 |
14 (CH2) | 30.7 |
15 (CH) | 83.8 |
16 (C) | 160.3 |
17 (CH2) | 109.1 |
18 (CH3) | 34.3 |
19 (CH3) | 21.6 |
20 (CH2) | 67.8 |
1a (C) | 170.5 |
1b (CH3) | 21.6 |