Spektraris NMR
Norcaesalpinin A
Common Name: Norcaesalpinin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H30O7/c1-12(24)29-18-11-21(3,4)23(27)8-6-14-16(22(23,5)20(18)30-13(2)25)10-17-15(19(14)26)7-9-28-17/h7,9,14,16,18,20,27H,6,8,10-11H2,1-5H3/t14-,16+,18+,20+,22+,23-/m1/s1
InChIKey: InChIKey=SOBRISMVUYEESV-XCTTXMKUSA-N
Formula: C23H30O7
Molecular Weight: 418.480983
Exact Mass: 418.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Banskota, A.H., Attamimi, F., Usia, T., Linn, T.Z., Tezuka, Y., Kalauni, S.K., Kadota, S. Tetrahedron Lett (2003) 44, 6879-82
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) | 74.5 |
| 2 (CH) | 67.3 |
| 3 (CH2) | 35.7 |
| 4 (C) | 40.1 |
| 5 (C) | 76.4 |
| 6 (CH2) | 25.7 |
| 7 (CH2) | 20.5 |
| 8 (CH) | 43.7 |
| 9 (CH) | 40 |
| 10 (C) | 45 |
| 11 (CH2) | 22.9 |
| 12 (C) | 165.4 |
| 13 (C) | 119.9 |
| 14 (C) | 195.2 |
| 15 (CH) | 106.5 |
| 16 (CH) | 142.9 |
| 18 (CH3) | 25.4 |
| 19 (CH3) | 28 |
| 20 (CH3) | 17.7 |
| 1a (C) | 169.3 |
| 1b (CH3) | 21.1 |
| 2a (C) | 170.3 |
| 2b (CH3) | 20.9 |
