Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30N2O6/c1-13-17(27)8-22-12-30-20(28)23(22)16(10-24-25-23)4-5-19(22)21(13,3)9-18(31-14(2)26)15-6-7-29-11-15/h6-7,11,13,16-19,27H,4-5,8-10,12H2,1-3H3/t13-,16-,17-,18-,19-,21+,22+,23-/m1/s1
InChIKey: InChIKey=FSRHHUDGBLSJQA-FQHXEXLASA-N
Formula: C23H30N2O6
Molecular Weight: 430.495064
Exact Mass: 430.210387
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fontana, G., Savona, G., Rodriguez, B., Dersch, C.M., Rothman, R.B., Prisinzano, T.E. Tetrahedron (2008) 64, 10041-8
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) | 18.7 |
2 (CH2) | 28.9 |
3 (CH) | 35.4 |
4 (C) | 95.7 |
5 (C) | 45.5 |
6 (CH2) | 38.2 |
7 (CH) | 72.7 |
8 (CH) | 40.3 |
9 (C) | 39.4 |
10 (CH) | 44.7 |
11 (CH2) | 42.4 |
12 (CH) | 64.5 |
13 (C) | 125.7 |
14 (CH) | 108.7 |
15 (CH) | 143.4 |
16 (CH) | 140.1 |
17 (CH3) | 12.6 |
18 (C) | 170.7 |
19 (CH2) | 71.2 |
20 (CH3) | 19.4 |
3a (CH2) | 81.8 |
12a (C) | 169.9 |
12b (CH3) | 21.2 |