Spektraris NMR
(3β,12α,17α)-28-Oxo-13,28-epoxyoleanane-3,12-diyl diacetate
Common Name: (3β,12α,17α)-28-Oxo-13,28-epoxyoleanane-3,12-diyl diacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H52O6/c1-20(35)38-25-11-12-30(7)22(29(25,5)6)10-13-31(8)23(30)18-26(39-21(2)36)34-24-19-28(3,4)14-16-33(24,27(37)40-34)17-15-32(31,34)9/h22-26H,10-19H2,1-9H3/t22-,23+,24+,25-,26-,30-,31+,32-,33-,34+/m0/s1
InChIKey: InChIKey=PHYDMGIRKRRCER-HFTPXWKKSA-N
Formula: C34H52O6
Molecular Weight: 556.774369
Exact Mass: 556.376389
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garcia-Granados, A., Lopez, P.E., Melguizo, E., Parra, A., Simeo, Y. Tetrahedron (2004) 60, 1491-503
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) | 23.6 |
| 3 (CH) | 80.7 |
| 4 (C) | 37.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 17.7 |
| 7 (CH2) | 33.9 |
| 8 (C) | 42.3 |
| 9 (CH) | 45.4 |
| 10 (C) | 36.4 |
| 11 (CH2) | 27.4 |
| 12 (CH) | 76.8 |
| 13 (C) | 89.5 |
| 14 (C) | 42.2 |
| 15 (CH2) | 25.2 |
| 16 (CH2) | 21.1 |
| 17 (C) | 44.6 |
| 18 (CH) | 50.3 |
| 19 (CH2) | 39.5 |
| 20 (C) | 31.6 |
| 21 (CH2) | 33.9 |
| 22 (CH2) | 27.9 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 18.6 |
| 28 (C) | 179.1 |
| 29 (CH3) | 33.4 |
| 30 (CH3) | 23.9 |
| 3a (C) | 169.4 |
| 3b (CH3) | 21.4 |
| 12a (C) | 171.2 |
| 12b (CH3) | 21.5 |
