Spektraris NMR
1a-Acetoxycycloartan-24-ene-2a,3b-dio
Common Name: 1a-Acetoxycycloartan-24-ene-2a,3b-dio
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)26(35)25(34)27(36-21(4)33)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=SCANIPNDFBXCDO-VBCRDMQMSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: CD3COCD3
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) | 77.8 |
| 2 (CH) | 71.9 |
| 3 (CH) | 77.8 |
| 4 (C) | 40.8 |
| 5 (CH) | 41.5 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 25.9 |
| 8 (CH) | 47.5 |
| 9 (C) | 21.2 |
| 10 (C) | 30.3 |
| 11 (CH2) | 27.3 |
| 12 (CH2) | 33.7 |
| 13 (C) | 45.9 |
| 14 (C) | 49.8 |
| 15 (CH2) | 36.2 |
| 16 (CH2) | 28.7 |
| 17 (CH) | 53 |
| 18 (CH3) | 18.3 |
| 19 (CH2) | 28.5 |
| 20 (CH) | 36.7 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 37.1 |
| 23 (CH2) | 25.5 |
| 24 (CH) | 126 |
| 25 (C) | 131.3 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 26.3 |
| 29 (CH3) | 14.9 |
| 30 (CH3) | 19.4 |
| 1a (C) | 170.2 |
| 1b (CH3) | 21.3 |
