Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O6/c1-7-24(30)33-22-11-12-26(5)20-10-9-19-15-28(20,14-17(19)3)23(34-25(31)8-2)13-21(26)27(22,6)16-32-18(4)29/h19-23H,3,7-16H2,1-2,4-6H3/t19-,20+,21+,22-,23+,26+,27-,28+/m1/s1
InChIKey: InChIKey=KNGFSWOFWBXKPB-AIQOZMOKSA-N
Formula: C28H42O6
Molecular Weight: 474.630546
Exact Mass: 474.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bruno, M., Rosselli, S., Pibiri, I., Piozzi, F., Bondi, M.L., Simmonds, M.S. Phytochemistry (2001) 58, 463-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 38.1 |
2 (CH2) | 23 |
3 (CH) | 73.5 |
4 (C) | 40.4 |
5 (CH) | 39.8 |
6 (CH2) | 24.3 |
7 (CH) | 78.9 |
8 (C) | 46.8 |
9 (CH) | 50.9 |
10 (C) | 38.6 |
11 (CH2) | 17.7 |
12 (CH2) | 33.2 |
13 (CH) | 43.5 |
14 (CH2) | 37.7 |
15 (CH2) | 44.9 |
16 (C) | 154 |
17 (CH2) | 103.8 |
18 (CH2) | 65 |
19 (CH3) | 12.9 |
20 (CH3) | 18 |
3a (C) | 173.8 |
3b (CH2) | 27.9 |
3c (CH3) | 9.2 |
7a (C) | 173.5 |
7b (CH2) | 27.9 |
7c (CH3) | 9.1 |
18a (C) | 170.5 |
18b (CH3) | 20.8 |