Spektraris NMR
3β-hydroxy-12-oxo-13Hα-olean-28,19β-olide
Common Name: 3β-hydroxy-12-oxo-13Hα-olean-28,19β-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O4/c1-25(2)12-14-30-15-13-29(7)21(22(30)23(25)34-24(30)33)17(31)16-19-27(5)10-9-20(32)26(3,4)18(27)8-11-28(19,29)6/h18-23,32H,8-16H2,1-7H3/t18-,19+,20-,21+,22+,23+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=SCCTYGDZBVYNDP-OPRFGOTJSA-N
Formula: C30H46O4
Molecular Weight: 470.684971
Exact Mass: 470.33961
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, F., Hua, H., Pei, Y., Chen, D., Jing, Y. J Nat Prod (2006) 69, 807-10
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) | 27.8 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.8 |
| 8 (C) | 41.7 |
| 9 (CH) | 49.8 |
| 10 (C) | 38.3 |
| 11 (CH2) | 38.5 |
| 12 (C) | 214.9 |
| 13 (CH) | 54.4 |
| 14 (C) | 44.8 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 26 |
| 17 (C) | 42 |
| 18 (CH) | 45.8 |
| 19 (CH) | 87.2 |
| 20 (C) | 32.4 |
| 21 (CH2) | 33.6 |
| 22 (CH2) | 26.8 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 39.4 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 17.7 |
| 27 (CH3) | 25.8 |
| 28 (C) | 180.1 |
| 29 (CH3) | 30.5 |
| 30 (CH3) | 22.7 |
