Spektraris NMR
1b,11a-Dihydroxyolean-18-en-3-one
Common Name: 1b,11a-Dihydroxyolean-18-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)11-12-27(5)13-14-28(6)18(19(27)17-25)15-20(31)24-29(28,7)10-9-21-26(3,4)22(32)16-23(33)30(21,24)8/h17-18,20-21,23-24,31,33H,9-16H2,1-8H3/t18-,20-,21+,23-,24+,27-,28-,29-,30-/m1/s1
InChIKey: InChIKey=FDLRGFIKGHXKBT-USVCEJOESA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
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 : Oleananes; 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) | 78.9 |
| 2 (CH2) | 43.1 |
| 3 (C) | 216.5 |
| 4 (C) | 47.2 |
| 5 (CH) | 50.9 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 33.2 |
| 8 (C) | 42.6 |
| 9 (CH) | 55.9 |
| 10 (C) | 43.9 |
| 11 (CH) | 70 |
| 12 (CH2) | 37.1 |
| 13 (CH) | 37.3 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 37.2 |
| 17 (C) | 34.3 |
| 18 (C) | 141.2 |
| 19 (CH) | 130.1 |
| 20 (C) | 32.4 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 37.4 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 19.3 |
| 25 (CH3) | 14.1 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 14.2 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 31.3 |
| 30 (CH3) | 29.1 |
