Spektraris NMR
24-Methylenecycloartan-3b-acetoxy
Common Name: 24-Methylenecycloartan-3b-acetoxy
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H54O2/c1-21(2)22(3)10-11-23(4)25-14-16-31(9)27-13-12-26-29(6,7)28(35-24(5)34)15-17-32(26)20-33(27,32)19-18-30(25,31)8/h21,23,25-28H,3,10-20H2,1-2,4-9H3/t23-,25+,26+,27+,28+,30-,31+,32-,33+/m1/s1
InChIKey: InChIKey=BYIMYSSYXBYIBJ-QFVHOMGRSA-N
Formula: C33H54O2
Molecular Weight: 482.781895
Exact Mass: 482.412381
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ohtsu, H., Tanaka, R., Michida, T., Shingu, T., Matsunaga, S. Phytochemistry (1998) 49, 1761-8
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 (CH2) | 28.2 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 79.1 |
| 4 (C) | 38.8 |
| 5 (CH) | 42.2 |
| 6 (CH2) | 21 |
| 7 (CH2) | 25.7 |
| 8 (CH) | 48.2 |
| 9 (C) | 20 |
| 10 (C) | 26.3 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.3 |
| 14 (C) | 48.9 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18.3 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.9 |
| 24 (C) | 157 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.9 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 20.8 |
| 30 (CH3) | 19.4 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.4 |
| 24a (CH2) | 105.9 |
