Spektraris NMR
28-Norlupa-12,17-diene-3,16-dione
Common Name: 28-Norlupa-12,17-diene-3,16-dione
Synonyms: 28-Norlupa-12,17-diene-3,16-dione
CAS Registry Number:
InChI: InChI=1S/C29H42O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,22-23H,8-9,11-16H2,1-7H3/t18-,22-,23+,27-,28+,29+/m0/s1
InChIKey: InChIKey=WFKRDDOUMYCVJA-NTDVVVMNSA-N
Formula: C29H42O2
Molecular Weight: 422.643663
Exact Mass: 422.318481
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Koul, S., Razdan, T.K., Andotra, C.S., Kalla, A.K., Taneja, S.C., Dhar, K.L. Phytochemistry (2000) 53, 305-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 217.1 |
| 4 (C) | 47.5 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 34 |
| 8 (C) | 41.3 |
| 9 (CH) | 48.9 |
| 10 (C) | 39.8 |
| 11 (CH2) | 32.7 |
| 12 (CH) | 131.6 |
| 13 (C) | 151.7 |
| 14 (C) | 51.8 |
| 15 (CH2) | 33.3 |
| 16 (C) | 219.1 |
| 17 (C) | 157.8 |
| 18 (C) | 155.7 |
| 19 (CH) | 48.6 |
| 20 (CH) | 28.3 |
| 21 (CH2) | 31.4 |
| 22 (CH2) | 48.3 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.5 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 23.6 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 17.5 |
