Spektraris NMR
Cardivin A
Common Name: Cardivin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O9/c1-8-12(3)22(28)32-19-17-15(6)24(30)33-20(17)21(34-23(29)13(4)9-2)25(7,31)11-16(26)10-14(5)18(19)27/h8,13-14,16-17,19-21,26,31H,6,9-11H2,1-5,7H3/b12-8-/t13?,14-,16-,17-,19-,20+,21-,25+/m0/s1
InChIKey: InChIKey=NAOJFCUVTXMIRE-UOTLBGONSA-N
Formula: C25H36O9
Molecular Weight: 480.548909
Exact Mass: 480.235933
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kim, D.K., Baek, N.I., Choi, S.U., Lee, C.O., Lee, K.R., Zee, O.P. J Nat Prod (1997) 60, 1199-202
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 34 |
| 2 (CH) | 71.7 |
| 3 (CH2) | 25.7 |
| 4 (CH) | 29.7 |
| 5 (C) | 215.1 |
| 6 (CH) | 78.5 |
| 7 (CH) | 42.4 |
| 8 (CH) | 78.7 |
| 9 (CH) | 78.5 |
| 10 (C) | 81.3 |
| 11 (C) | 132.8 |
| 12 (C) | 168.4 |
| 13 (CH2) | 124.5 |
| 14 (CH3) | 25.4 |
| 15 (CH3) | 20.8 |
| 6a (C) | 168.4 |
| 6b (C) | 127 |
| 6c (CH) | 140 |
| 6d (CH3) | 16.7 |
| 6ba (CH3) | 20.6 |
| 9a (C) | 177.8 |
| 9b (CH) | 41.2 |
| 9c (CH2) | 26.8 |
| 9d (CH3) | 11.6 |
| 9ba (CH3) | 16.7 |
