Spektraris NMR
3b,28-Dihydroxyolean-11,13(18)-dien-16-one
Common Name: 3b,28-Dihydroxyolean-11,13(18)-dien-16-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-25(2)14-15-30(18-31)20(16-25)19-8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,6)29(19,7)17-24(30)33/h8-9,21-23,31-32H,10-18H2,1-7H3/t21-,22+,23-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=VHMRTBJMXKOFIC-FXTFSDNBSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kobayoshi Y., Ogawa M., Ogihara Y. J Chem Soc, Perkin Trans 1 (1981) 0, 2277
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 (CH2) | 38.5 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.4 |
| 5 (CH) | 54.3 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40.3 |
| 9 (CH) | 54 |
| 10 (C) | 37 |
| 11 (CH) | 127.5 |
| 12 (CH) | 124.9 |
| 13 (C) | 136.6 |
| 14 (C) | 47.3 |
| 15 (CH2) | 45.7 |
| 16 (C) | 214.7 |
| 17 (C) | 55 |
| 18 (C) | 133.4 |
| 19 (CH2) | 38.2 |
| 20 (C) | 33.4 |
| 21 (CH2) | 35.2 |
| 22 (CH2) | 23.8 |
| 23 (CH3) | 28.5 |
| 24 (CH3) | 16 |
| 25 (CH3) | 18 |
| 26 (CH3) | 17.2 |
| 27 (CH3) | 22.1 |
| 28 (CH2) | 65.8 |
| 29 (CH3) | 24 |
| 30 (CH3) | 32.2 |
