Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H48O7/c1-9-19(3)27(34)38-25-13-14-29(6)23-12-11-22-16-32(23,17-31(22,8)36)26(39-28(35)20(4)10-2)15-24(29)30(25,7)18-37-21(5)33/h9-10,22-26,36H,11-18H2,1-8H3/b19-9+,20-10+/t22-,23-,24+,25-,26+,29+,30-,31-,32-/m1/s1
InChIKey: InChIKey=IOOHNYVHSRIBRV-VDLNWPEQSA-N
Formula: C32H48O7
Molecular Weight: 544.720539
Exact Mass: 544.340004
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) | 37.8 |
2 (CH2) | 22.9 |
3 (CH) | 73.7 |
4 (C) | 40.3 |
5 (CH) | 39.5 |
6 (CH2) | 23.9 |
7 (CH) | 79.4 |
8 (C) | 47.9 |
9 (CH) | 48.3 |
10 (C) | 38.5 |
11 (CH2) | 17.6 |
12 (CH2) | 26.8 |
13 (CH) | 51.9 |
14 (CH2) | 35.8 |
15 (CH2) | 54.2 |
16 (C) | 78.7 |
17 (CH3) | 24.3 |
18 (CH2) | 65 |
19 (CH3) | 13.1 |
20 (CH3) | 18.1 |
3a (C) | 167.3 |
3b (C) | 128.8 |
3c (CH) | 137 |
3d (CH3) | 14.3 |
3ba (CH3) | 12.1 |
7a (C) | 167.5 |
7b (C) | 129.1 |
7c (CH) | 136.7 |
7d (CH3) | 14.3 |
7ba (CH3) | 12.1 |
18a (C) | 170.7 |
18b (CH3) | 20.2 |