Spektraris NMR
3b-Acetoxycycloartan-24-ene-1a,2a-diol
Common Name: 3b-Acetoxycycloartan-24-ene-1a,2a-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-19(2)10-9-11-20(3)22-14-15-30(8)24-13-12-23-28(5,6)27(36-21(4)33)25(34)26(35)32(23)18-31(24,32)17-16-29(22,30)7/h10,20,22-27,34-35H,9,11-18H2,1-8H3/t20-,22-,23+,24+,25-,26+,27+,29-,30+,31+,32-/m1/s1
InChIKey: InChIKey=ZXSOZQFDXGTVED-ALLDTQKISA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shen, T., Yuan, H.Q., Wan, W.Z., Wang, X.L., Wang, X.N., Ji, M., Lou, H.X. J Nat Prod (2008) 71, 81-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 75.8 |
| 2 (CH) | 71.6 |
| 3 (CH) | 80.5 |
| 4 (C) | 40 |
| 5 (CH) | 38.9 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 25.5 |
| 8 (CH) | 47.9 |
| 9 (C) | 20.4 |
| 10 (C) | 29.4 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.2 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.7 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.7 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 19.4 |
| 3a (C) | 172.8 |
| 3b (CH3) | 21.2 |
