Spektraris NMR
Cussovantoside D
Common Name: Cussovantoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O12/c1-16-21(35)23(37)25(39)27(42-16)44-26-24(38)22(36)18(12-33)43-28(26)41-15-29(2)8-4-9-30(3)19(29)7-10-31-11-17(5-6-20(30)31)32(40,13-31)14-34/h16-28,33-40H,4-15H2,1-3H3/t16-,17+,18+,19+,20-,21-,22+,23+,24-,25+,26+,27-,28+,29-,30+,31-,32+/m0/s1
InChIKey: InChIKey=FMIIGEJYEBHNAS-SVBHAWOXSA-N
Formula: C32H54O12
Molecular Weight: 630.765209
Exact Mass: 630.361527
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Harinantenaina L., Kasai R., Yamasaki K. Phytochemistry (2002) 61, 367-72
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)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 40.5 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 36 |
| 4 (C) | 38.3 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 42.5 |
| 8 (C) | 43.8 |
| 9 (CH) | 57.1 |
| 10 (C) | 39.4 |
| 11 (CH2) | 19.1 |
| 12 (CH2) | 27.4 |
| 13 (CH) | 41.7 |
| 14 (CH2) | 38.4 |
| 15 (CH2) | 53.3 |
| 16 (C) | 79.6 |
| 17 (CH2) | 70.4 |
| 18 (CH3) | 28.4 |
| 19 (CH2) | 72.6 |
| 20 (CH3) | 18.5 |
| 1' (CH) | 103.5 |
| 2' (CH) | 79.2 |
| 3' (CH) | 78.1 |
| 4' (CH) | 72 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 62.7 |
| 1'' (CH) | 101.6 |
| 2'' (CH) | 72.1 |
| 3'' (CH) | 72.4 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 69.4 |
| 6'' (CH3) | 18.6 |
