Spektraris NMR
Norcaesalpinin E
Common Name: Norcaesalpinin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H28O6/c1-11(22)27-16-5-7-19(2,3)21(25)10-14(23)17-13(20(16,21)4)9-15-12(18(17)24)6-8-26-15/h6,8,13-14,16-17,23,25H,5,7,9-10H2,1-4H3/t13-,14-,16-,17-,20-,21+/m0/s1
InChIKey: InChIKey=IBALQPBIWZLHPR-SJEMMDPOSA-N
Formula: C21H28O6
Molecular Weight: 376.444225
Exact Mass: 376.188589
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) | 75.2 |
| 2 (CH2) | 22.7 |
| 3 (CH2) | 29.9 |
| 4 (C) | 38.4 |
| 5 (C) | 77.9 |
| 6 (CH2) | 33.6 |
| 7 (CH) | 67.2 |
| 8 (CH) | 51 |
| 9 (CH) | 38.6 |
| 10 (C) | 43.6 |
| 11 (CH2) | 22.8 |
| 12 (C) | 166.6 |
| 13 (C) | 119.8 |
| 14 (C) | 198.4 |
| 15 (CH) | 106.3 |
| 16 (CH) | 143.4 |
| 18 (CH3) | 27.9 |
| 19 (CH3) | 24.9 |
| 20 (CH3) | 18.1 |
| 1a (C) | 169.2 |
| 1b (CH3) | 21.5 |
