Spektraris NMR
20,28-Dihydroxylupan-3-one
Common Name: 20,28-Dihydroxylupan-3-one
Synonyms: 20,28-Dihydroxylupan-3-one
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)21-11-14-29(7)22(27(21,5)13-12-23(25)32)9-8-20-24-19(26(3,4)33)10-15-30(24,18-31)17-16-28(20,29)6/h19-22,24,31,33H,8-18H2,1-7H3/t19-,20-,21+,22-,24-,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=QFNHDYZXFBTISB-DLITZTHDSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yuruker, A., Orjala, J., Sticher, O., Rali, T. Phytochemistry (1998) 48, 863-6
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) | 34.1 |
| 3 (C) | 218.2 |
| 4 (C) | 47.3 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.8 |
| 8 (C) | 41.4 |
| 9 (CH) | 49.6 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 36.3 |
| 14 (C) | 43.5 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 33.4 |
| 17 (C) | 40.2 |
| 18 (CH) | 48.7 |
| 19 (CH) | 49.7 |
| 20 (C) | 73.5 |
| 21 (CH2) | 29 |
| 22 (CH2) | 29.7 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16 |
| 27 (CH3) | 15 |
| 28 (CH2) | 60.8 |
| 29 (CH3) | 24.6 |
| 30 (CH3) | 31.8 |
