Spektraris NMR
2b,3b,16a,23-Tetrahydroxyolean-(28 13)-olide
Common Name: 2b,3b,16a,23-Tetrahydroxyolean-(28 13)-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-24(2)11-12-29-20(14-24)30(36-23(29)35)10-8-19-25(3)13-17(32)22(34)26(4,16-31)18(25)7-9-27(19,5)28(30,6)15-21(29)33/h17-22,31-34H,7-16H2,1-6H3/t17-,18+,19+,20+,21+,22-,25-,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=KEFXPBKGTTZWEX-XMPHDKRRSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kreutzer S., Schimmer S., Waibel R. Planta Med (1990) 56, 392
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) | 45.4 |
| 2 (CH) | 71.6 |
| 3 (CH) | 72.9 |
| 4 (C) | 42.6 |
| 5 (CH) | 47.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 34.7 |
| 8 (C) | 41.9 |
| 9 (CH) | 50 |
| 10 (C) | 37.1 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 28 |
| 13 (C) | 90.9 |
| 14 (C) | 44.5 |
| 15 (CH2) | 35 |
| 16 (CH) | 69.5 |
| 17 (C) | 53.6 |
| 18 (CH) | 38.9 |
| 19 (CH2) | 36.3 |
| 20 (C) | 29.9 |
| 21 (CH2) | 35.8 |
| 22 (CH2) | 23 |
| 23 (CH2) | 67.4 |
| 24 (CH3) | 18.2 |
| 25 (CH3) | 18.1 |
| 26 (CH3) | 14.4 |
| 27 (CH3) | 21.2 |
| 28 (C) | 178.3 |
| 29 (CH3) | 33 |
| 30 (CH3) | 22.7 |
