Spektraris NMR
Betulinic acid acetate
Common Name: Betulinic acid acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(2)21-11-16-32(27(34)35)18-17-30(7)22(26(21)32)9-10-24-29(6)14-13-25(36-20(3)33)28(4,5)23(29)12-15-31(24,30)8/h21-26H,1,9-18H2,2-8H3,(H,34,35)/t21-,22+,23-,24+,25-,26+,29-,30+,31+,32-/m0/s1
InChIKey: InChIKey=ACWNTJJUZAIOLW-BWXYOZBYSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kundu A.B., Barik B.R., Mondal D.N., Dey A.K., Benerji A. Phytochemistry (1989) 28, 3155
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 (CH2) | 38.3 |
| 2 (CH2) | 18.1 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.6 |
| 9 (CH) | 50.3 |
| 10 (C) | 37 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 25.3 |
| 13 (CH) | 38.3 |
| 14 (C) | 42.3 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 32.1 |
| 17 (C) | 56.3 |
| 18 (CH) | 49.2 |
| 19 (CH) | 46.9 |
| 20 (C) | 150.2 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 36.9 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 14.6 |
| 28 (C) | 182.5 |
| 29 (CH2) | 109.6 |
| 30 (CH3) | 19.3 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
