Spektraris NMR
Cardivin B
Common Name: Cardivin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H36O9/c1-8-12(4)22(28)31-18-16-14(6)23(29)32-19(16)20(33-21(27)11(2)3)24(7,30)10-15(25)9-13(5)17(18)26/h11-13,15-16,18-20,25,30H,6,8-10H2,1-5,7H3/t12?,13-,15-,16-,18-,19+,20-,24+/m0/s1
InChIKey: InChIKey=PQWUSRCSCCYNSK-BBYCXBMUSA-N
Formula: C24H36O9
Molecular Weight: 468.538173
Exact Mass: 468.235933
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) | 72 |
| 3 (CH2) | 25.7 |
| 4 (CH) | 29.7 |
| 5 (C) | 214.9 |
| 6 (CH) | 78.7 |
| 7 (CH) | 42.1 |
| 8 (CH) | 79.1 |
| 9 (CH) | 78.7 |
| 10 (C) | 81.3 |
| 11 (C) | 132.7 |
| 12 (C) | 168.3 |
| 13 (CH2) | 124.5 |
| 14 (CH3) | 25.5 |
| 15 (CH3) | 20.8 |
| 6a (C) | 177.8 |
| 6b (CH) | 41.4 |
| 6c (CH2) | 26.8 |
| 6d (CH3) | 11.6 |
| 6ba (CH3) | 17 |
| 9a (C) | 174.2 |
| 9b (CH) | 34.3 |
| 9c (CH3) | 19 |
| 9ba (CH3) | 19 |
