Spektraris NMR
Glochidonol acetate
Common Name: Glochidonol acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O3/c1-19(2)21-12-14-29(6)16-17-30(7)22(27(21)29)10-11-24-31(30,8)15-13-23-28(4,5)25(34)18-26(32(23,24)9)35-20(3)33/h21-24,26-27H,1,10-18H2,2-9H3/t21-,22+,23-,24-,26+,27+,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=INASIMVCZXTMGI-ZXCCBGOPSA-N
Formula: C32H50O3
Molecular Weight: 482.738801
Exact Mass: 482.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ayer W.A., Flanagan R.J., Reffstrup T. Tetrahedron (1984) 40, 2069
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 80.4 |
| 2 (CH2) | 41.8 |
| 3 (C) | 215.2 |
| 4 (C) | 46.8 |
| 5 (CH) | 50.8 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 32.7 |
| 8 (C) | 41 |
| 9 (CH) | 50.3 |
| 10 (C) | 41.9 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 25.2 |
| 13 (CH) | 38 |
| 14 (C) | 42.9 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 35.5 |
| 17 (C) | 42.9 |
| 18 (CH) | 48.1 |
| 19 (CH) | 48 |
| 20 (C) | 150.5 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 39.9 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 19.7 |
| 25 (CH3) | 12.8 |
| 26 (CH3) | 15.8 |
| 27 (CH3) | 14.4 |
| 28 (CH3) | 18 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.3 |
| 1a (C) | 170.3 |
| 1b (CH3) | 21.6 |
