Spektraris NMR
Cycloartan-24-ene-1a,3b-diol
Common Name: Cycloartan-24-ene-1a,3b-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)9-8-10-20(3)21-13-14-28(7)23-12-11-22-26(4,5)24(31)17-25(32)30(22)18-29(23,30)16-15-27(21,28)6/h9,20-25,31-32H,8,10-18H2,1-7H3/t20-,21-,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=BIOOLEHEEDQHNH-QXTLHTQPSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
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) | 73.7 |
| 2 (CH2) | 36.6 |
| 3 (CH) | 73.8 |
| 4 (C) | 40.5 |
| 5 (CH) | 39.5 |
| 6 (CH2) | 20.8 |
| 7 (CH2) | 25.8 |
| 8 (CH) | 48 |
| 9 (C) | 20.8 |
| 10 (C) | 30.3 |
| 11 (CH2) | 26.1 |
| 12 (CH2) | 32.8 |
| 13 (C) | 45.1 |
| 14 (C) | 48.7 |
| 15 (CH2) | 35.7 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 18.2 |
| 19 (CH2) | 30 |
| 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) | 17.6 |
| 28 (CH3) | 25.1 |
| 29 (CH3) | 13 |
| 30 (CH3) | 19.4 |
