Spektraris NMR
3-OXO-1b,11a,20-Trihydroxylupane
Common Name: 3-OXO-1b,11a,20-Trihydroxylupane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)20-10-12-29(7)24(30(20,8)22(33)16-21(25)32)19(31)15-18-23-17(26(3,4)34)9-11-27(23,5)13-14-28(18,29)6/h17-20,22-24,31,33-34H,9-16H2,1-8H3/t17-,18-,19-,20+,22-,23-,24+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=JUGSVERKJDPTIE-GRUQDGSSSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Savona G., Bruno M., Rodriguez B., Marco J.L. Phytochemistry (1987) 26, 3305
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 (CH) | 79.4 |
| 2 (CH2) | 44.2 |
| 3 (C) | 216.3 |
| 4 (C) | 47.3 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 34.2 |
| 8 (C) | 43.6 |
| 9 (CH) | 56.1 |
| 10 (C) | 44.6 |
| 11 (CH) | 69.3 |
| 12 (CH2) | 35.9 |
| 13 (CH) | 36.9 |
| 14 (C) | 43.8 |
| 15 (CH2) | 28 |
| 16 (CH2) | 39.9 |
| 17 (C) | 42.9 |
| 18 (CH) | 48.4 |
| 19 (CH) | 50.5 |
| 20 (C) | 72.1 |
| 21 (CH2) | 28.6 |
| 22 (CH2) | 40.2 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 19.6 |
| 25 (CH3) | 14.9 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 20 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 32.5 |
