Spektraris NMR
Norcaesalpinin MD
Common Name: Norcaesalpinin MD
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H28O8/c1-11(24)30-19-17-14(10-15-13(18(17)27)7-9-29-15)22(5)16(26)6-8-21(3,4)23(22,28)20(19)31-12(2)25/h7,9,14,17,19-20,28H,6,8,10H2,1-5H3/t14-,17+,19+,20-,22-,23+/m0/s1
InChIKey: InChIKey=ILAYPXILRXPIAE-DUUAAAOISA-N
Formula: C23H28O8
Molecular Weight: 432.464506
Exact Mass: 432.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalauni, S.K., Awale, S., Tezuka, Y., Banskota, A.H., Linn, T.Z., Kadota, S. Chem Pharm Bull (2005) 53, 214-8
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 (C) | 211.9 |
| 2 (CH2) | 35.4 |
| 3 (CH2) | 38.3 |
| 4 (C) | 38.6 |
| 5 (C) | 81.9 |
| 6 (CH) | 35.3 |
| 7 (CH) | 70.9 |
| 8 (CH) | 48.2 |
| 9 (CH) | 39.9 |
| 10 (C) | 54.8 |
| 11 (CH2) | 26.4 |
| 12 (C) | 166.8 |
| 13 (C) | 119.7 |
| 14 (C) | 191.8 |
| 15 (CH) | 106.3 |
| 16 (CH) | 143.1 |
| 18 (CH3) | 28.7 |
| 19 (CH3) | 26.1 |
| 20 (CH3) | 15.9 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21.1 |
| 7a (C) | 169.8 |
| 7b (CH3) | 21.5 |
