Spektraris NMR
Cardivin D
Common Name: Cardivin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H34O9/c1-10(2)20(26)30-17-15-13(6)22(28)31-18(15)19(32-21(27)11(3)4)23(7,29)9-14(24)8-12(5)16(17)25/h10-12,14-15,17-19,24,29H,6,8-9H2,1-5,7H3/t12-,14-,15-,17-,18+,19-,23+/m0/s1
InChIKey: InChIKey=WOJZAWJFEPVGSB-BABJMYPRSA-N
Formula: C23H34O9
Molecular Weight: 454.511556
Exact Mass: 454.220283
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) | 34.1 |
| 2 (CH) | 72 |
| 3 (CH2) | 25.7 |
| 4 (CH) | 29.7 |
| 5 (C) | 214.6 |
| 6 (CH) | 78.6 |
| 7 (CH) | 42.2 |
| 8 (CH) | 79 |
| 9 (CH) | 78.6 |
| 10 (C) | 81.3 |
| 11 (C) | 132.7 |
| 12 (C) | 168.1 |
| 13 (CH2) | 124.5 |
| 14 (CH3) | 25.3 |
| 15 (CH3) | 20.8 |
| 6a (C) | 178.1 |
| 6b (CH) | 34.3 |
| 6c (CH3) | 19 |
| 6ba (CH3) | 19 |
| 9a (C) | 178.1 |
| 9b (CH) | 34.3 |
| 9c (CH3) | 19.1 |
| 9ba (CH3) | 19 |
