Spektraris NMR
24-Methylenecycloartane-3b,22-diol
Common Name: 24-Methylenecycloartane-3b,22-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O2/c1-19(2)20(3)17-23(32)21(4)22-11-13-29(8)25-10-9-24-27(5,6)26(33)12-14-30(24)18-31(25,30)16-15-28(22,29)7/h19,21-26,32-33H,3,9-18H2,1-2,4-8H3/t21-,22+,23?,24-,25-,26-,28+,29-,30+,31-/m0/s1
InChIKey: InChIKey=VRFYMQRRJPYNOR-QODIULFASA-N
Formula: C31H52O2
Molecular Weight: 456.744542
Exact Mass: 456.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lago J.H., Roque N.F. Phytochemistry (2002) 60, 329-32
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) | 32 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 78.8 |
| 4 (C) | 40.8 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 48 |
| 9 (C) | 20 |
| 10 (C) | 26.1 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 35.7 |
| 13 (C) | 45.8 |
| 14 (C) | 48.4 |
| 15 (CH2) | 32.9 |
| 16 (CH2) | 26.4 |
| 17 (CH) | 49 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 40.5 |
| 21 (CH3) | 12 |
| 22 (CH) | 70.4 |
| 23 (CH2) | 36.1 |
| 24 (C) | 153.6 |
| 25 (CH) | 33.2 |
| 26 (CH3) | 22.3 |
| 27 (CH3) | 21.6 |
| 28 (CH3) | 25.4 |
| 29 (CH3) | 14 |
| 30 (CH3) | 19.5 |
| 24a (CH2) | 109.7 |
