Spektraris NMR
Diacetate of 2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Common Name: Diacetate of 2α-3β-Dihydroxyolean-12-ene-24,28-dioic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O6/c1-27(2)13-15-32(26(36)38-8)16-14-29(4)19(20(32)17-27)9-10-22-28(3)18-21(33)24(34)31(6,25(35)37-7)23(28)11-12-30(22,29)5/h9,20-24,33-34H,10-18H2,1-8H3/t20-,21+,22+,23+,24-,28+,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=NRQWOYJXRZMQPN-JTFSFCSYSA-N
Formula: C32H50O6
Molecular Weight: 530.737016
Exact Mass: 530.360739
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, M.H., Han, Y.N. Planta Med (2003) 69, 327-31
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) | 46.1 |
| 2 (CH) | 68.2 |
| 3 (CH) | 83.5 |
| 4 (C) | 49.1 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 20.1 |
| 7 (CH2) | 32.7 |
| 8 (C) | 39.2 |
| 9 (CH) | 46.7 |
| 10 (C) | 38.3 |
| 11 (CH2) | 23 |
| 12 (CH) | 122.2 |
| 13 (C) | 143.6 |
| 14 (C) | 41.7 |
| 15 (CH2) | 27.6 |
| 16 (CH2) | 23.6 |
| 17 (C) | 46.9 |
| 18 (CH) | 41.3 |
| 19 (CH2) | 45.7 |
| 20 (C) | 30.7 |
| 21 (CH2) | 33.8 |
| 22 (CH2) | 32.3 |
| 23 (CH3) | 25.7 |
| 24 (C) | 178.5 |
| 25 (CH3) | 14.5 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 23.8 |
| 28 (C) | 178.2 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 24a (CH3) | 51.5 |
| 28a (CH3) | 51.5 |
