Spektraris NMR
Cycloartan-24-ene-1a,2a,3b-triol
Common Name: Cycloartan-24-ene-1a,2a,3b-triol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-18(2)9-8-10-19(3)20-13-14-28(7)22-12-11-21-26(4,5)24(32)23(31)25(33)30(21)17-29(22,30)16-15-27(20,28)6/h9,19-25,31-33H,8,10-17H2,1-7H3/t19-,20-,21+,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=DATCMCBQCCLKRF-QMIHFCROSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
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) | 75.3 |
| 2 (CH) | 72.5 |
| 3 (CH) | 78.1 |
| 4 (C) | 40.1 |
| 5 (CH) | 39.3 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 25.6 |
| 8 (CH) | 47.9 |
| 9 (C) | 20.3 |
| 10 (C) | 29 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 32.7 |
| 13 (C) | 45.1 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.7 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.4 |
| 20 (CH) | 35.9 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.2 |
| 25 (C) | 131 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.7 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 14.2 |
| 30 (CH3) | 19.4 |
