Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H38O5/c1-6-22(28)30-21-9-10-23(4)18-8-7-17-13-25(18,12-15(17)2)20(27)11-19(23)24(21,5)14-29-16(3)26/h17-21,27H,2,6-14H2,1,3-5H3/t17-,18+,19+,20+,21-,23+,24-,25+/m1/s1
InChIKey: InChIKey=SJIVEKNBRDKRSA-YMXCKEQXSA-N
Formula: C25H38O5
Molecular Weight: 418.567171
Exact Mass: 418.271924
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) | 38.4 |
2 (CH2) | 23 |
3 (CH) | 74.2 |
4 (C) | 40.5 |
5 (CH) | 38 |
6 (CH2) | 27 |
7 (CH) | 76.7 |
8 (C) | 47.9 |
9 (CH) | 50 |
10 (C) | 38.6 |
11 (CH2) | 17.8 |
12 (CH2) | 33.5 |
13 (CH) | 43.5 |
14 (CH2) | 37.7 |
15 (CH2) | 44.9 |
16 (C) | 154.8 |
17 (CH2) | 103.6 |
18 (CH2) | 64.6 |
19 (CH3) | 13 |
20 (CH3) | 17.8 |
3a (C) | 173.8 |
3b (CH2) | 27.9 |
3c (CH3) | 9.2 |
18a (C) | 171.5 |
18b (CH3) | 21.1 |