Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O9/c1-14-3-7-26-13-33-23(31)17(26)9-16(34-24-22(30)21(29)20(28)18(11-27)35-24)10-19(26)25(14,2)6-4-15-5-8-32-12-15/h5,8-9,12,14,16,18-22,24,27-30H,3-4,6-7,10-11,13H2,1-2H3/t14-,16-,18+,19-,20+,21-,22+,24+,25+,26-/m1/s1
InChIKey: InChIKey=ROSSVNHEVRUXGM-XHHMNARNSA-N
Formula: C26H36O9
Molecular Weight: 492.559645
Exact Mass: 492.235933
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Maldonado, E., Cardenas, J., Bojorquez, H., Escamilla, E.M., Ortega, A. Phytochemistry (1996) 42, 1105-8
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) | 26.4 |
2 (CH) | 69.9 |
3 (CH) | 129.6 |
4 (C) | 144 |
5 (C) | 45.7 |
6 (CH2) | 33.9 |
7 (CH2) | 27.7 |
8 (CH) | 36.4 |
9 (C) | 38 |
10 (CH) | 39.8 |
11 (CH2) | 37.9 |
12 (CH2) | 17.2 |
13 (C) | 125.4 |
14 (CH) | 110.8 |
15 (CH) | 142.6 |
16 (CH) | 138.4 |
17 (CH3) | 15.3 |
18 (C) | 169.5 |
19 (CH2) | 71.1 |
20 (CH3) | 17.4 |
1' (CH) | 101.6 |
2' (CH) | 73.9 |
3' (CH) | 76.6 |
4' (CH) | 70.6 |
5' (CH) | 75.8 |
6' (CH2) | 62.2 |