Spektraris NMR
23-Nor-6-oxopristimerol dimethyl ether
Common Name: 23-Nor-6-oxopristimerol dimethyl ether
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H42O5/c1-27-9-10-28(2,26(33)36-8)18-25(27)31(5)14-12-29(3)20-16-23(35-7)22(34-6)15-19(20)21(32)17-24(29)30(31,4)13-11-27/h15-17,25H,9-14,18H2,1-8H3/t25-,27-,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=GGWPNTMJPSSIBH-WYUYVVTISA-N
Formula: C31H42O5
Molecular Weight: 494.663349
Exact Mass: 494.303224
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gamlath C.B., Gunatilaka A.A.L. Phytochemistry (1988) 27, 3217
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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 (CH) | 106.8 |
| 2 (C) | 147.8 |
| 3 (C) | 150 |
| 4 (CH) | 106.7 |
| 5 (C) | 123.6 |
| 6 (C) | 184.7 |
| 7 (CH) | 124.4 |
| 8 (C) | 174.6 |
| 9 (C) | 40.5 |
| 10 (C) | 153.2 |
| 11 (CH2) | 33.8 |
| 12 (CH2) | 29.8 |
| 13 (C) | 39.5 |
| 14 (C) | 45.2 |
| 15 (CH2) | 28.9 |
| 16 (CH2) | 36.4 |
| 17 (C) | 30.5 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 31 |
| 20 (C) | 40 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 34.8 |
| 25 (CH3) | 36.5 |
| 26 (CH3) | 20.5 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 31.6 |
| 29 (C) | 178.8 |
| 30 (CH3) | 32.6 |
| 2a (CH3) | 56 |
| 3a (CH3) | 56 |
| 29a (CH3) | 51.6 |
