Spektraris NMR
diospyrosooleanolide
Common Name: diospyrosooleanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H54O6/c1-34(2)18-20-39-21-19-37(6)25(30(39)32(34)45-33(39)43)13-14-28-36(5)22-26(41)31(35(3,4)27(36)16-17-38(28,37)7)44-29(42)15-10-23-8-11-24(40)12-9-23/h8-12,15,25-28,30-32,40-41H,13-14,16-22H2,1-7H3/b15-10+/t25-,26-,27+,28-,30-,31+,32-,36+,37-,38-,39+/m1/s1
InChIKey: InChIKey=COXCAJRRPRVGMU-DOODTNGJSA-N
Formula: C39H54O6
Molecular Weight: 618.84393
Exact Mass: 618.392039
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Pathak, A., Kulshreshtha, D.K., Maurya, R. Phytochemistry (2004) 65, 2153-8
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) | 48.5 |
| 2 (CH) | 66.3 |
| 3 (CH) | 85.7 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 33.6 |
| 8 (C) | 39.9 |
| 9 (CH) | 51.1 |
| 10 (C) | 38.2 |
| 11 (CH2) | 21 |
| 12 (CH2) | 25.7 |
| 13 (CH) | 36.2 |
| 14 (C) | 40.5 |
| 15 (CH2) | 28.5 |
| 16 (CH2) | 26.2 |
| 17 (C) | 49.5 |
| 18 (CH) | 46.5 |
| 19 (CH) | 84.7 |
| 20 (C) | 33.4 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 23.4 |
| 24 (CH3) | 13.5 |
| 25 (CH3) | 14.8 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 17.7 |
| 28 (C) | 179.8 |
| 29 (CH3) | 28.5 |
| 30 (CH3) | 28.5 |
| 3a (C) | 167.8 |
| 3b (CH) | 115.8 |
| 3c (CH) | 144.6 |
| 3d (C) | 123.6 |
| 3e (CH) | 130.4 |
| 3f (CH) | 116.5 |
| 3g (C) | 161.1 |
| 3h (CH) | 116.5 |
| 3i (CH) | 130.4 |
