Spektraris NMR
Caesalpinin D
Common Name: Caesalpinin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H30O8/c1-11(25)30-16-6-8-22(3,4)24(28)20(31-12(2)26)19-18-14(23(16,24)5)10-15-13(7-9-29-15)17(18)21(27)32-19/h7,9,14,16-20,28H,6,8,10H2,1-5H3/t14-,16-,17+,18+,19+,20-,23-,24+/m0/s1
InChIKey: InChIKey=QAYOIGPJKWWLOT-WXRFRXGMSA-N
Formula: C24H30O8
Molecular Weight: 446.491124
Exact Mass: 446.194068
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Linn, T.Z., Awale, S., Tezuka, Y., Banskota, A.H., Kalauni, S.K., Attamimi, F., Ueda, J.Y., Asih, P.B., Syafruddin, D., Tanaka, K., Kadota, S. J Nat Prod (2005) 68, 706-10
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Vouacapanes; 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 (CH) | 74.9 |
| 2 (CH2) | 22.4 |
| 3 (CH2) | 32.6 |
| 4 (C) | 39.4 |
| 5 (C) | 83.7 |
| 6 (CH) | 72.6 |
| 7 (CH) | 82.3 |
| 8 (CH) | 44.4 |
| 9 (CH) | 32.6 |
| 10 (C) | 47.6 |
| 11 (CH2) | 21.6 |
| 12 (C) | 151.3 |
| 13 (C) | 113.9 |
| 14 (CH) | 41.5 |
| 15 (CH) | 107.8 |
| 16 (CH) | 142 |
| 17 (C) | 173.2 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 24.3 |
| 20 (CH3) | 17 |
| 1a (C) | 168.6 |
| 1b (CH3) | 21.3 |
| 6a (C) | 169.7 |
| 6b (CH3) | 21.3 |
