Spektraris NMR
Cardivin C
Common Name: Cardivin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H34O9/c1-8-12(4)22(28)33-20-19-16(14(6)23(29)32-19)18(31-21(27)11(2)3)17(26)13(5)9-15(25)10-24(20,7)30/h8,11,13,15-16,18-20,25,30H,6,9-10H2,1-5,7H3/b12-8-/t13-,15-,16-,18-,19+,20-,24+/m0/s1
InChIKey: InChIKey=XWZYMNOGYGCQNQ-BLPGSSPASA-N
Formula: C24H34O9
Molecular Weight: 466.522292
Exact Mass: 466.220283
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) | 25.6 |
| 4 (CH) | 29.9 |
| 5 (C) | 214.7 |
| 6 (CH) | 78.7 |
| 7 (CH) | 42.2 |
| 8 (CH) | 79.1 |
| 9 (CH) | 78.7 |
| 10 (C) | 81.3 |
| 11 (C) | 132.7 |
| 12 (C) | 168.2 |
| 13 (CH2) | 124.5 |
| 14 (CH3) | 25.8 |
| 15 (CH3) | 20.6 |
| 6a (C) | 176 |
| 6b (CH) | 34.3 |
| 6c (CH3) | 19 |
| 6ba (CH3) | 19 |
| 9a (C) | 168.8 |
| 9b (C) | 127.4 |
| 9c (CH) | 139.5 |
| 9d (CH3) | 15.9 |
| 9ba (CH3) | 20.9 |
