Spektraris NMR
3b-Isovaleroyloxycycloartan-24-ene-1a,2a-diol
Common Name: 3b-Isovaleroyloxycycloartan-24-ene-1a,2a-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H58O4/c1-21(2)11-10-12-23(5)24-15-16-33(9)26-14-13-25-31(6,7)30(39-27(36)19-22(3)4)28(37)29(38)35(25)20-34(26,35)18-17-32(24,33)8/h11,22-26,28-30,37-38H,10,12-20H2,1-9H3/t23-,24-,25+,26+,28-,29+,30?,32-,33+,34+,35-/m1/s1
InChIKey: InChIKey=YWDGWURPVXINEI-HARVZITASA-N
Formula: C35H58O4
Molecular Weight: 542.83394
Exact Mass: 542.43351
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) | 75.8 |
| 2 (CH) | 71.6 |
| 3 (CH) | 80.2 |
| 4 (C) | 40 |
| 5 (CH) | 38.9 |
| 6 (CH2) | 20.6 |
| 7 (CH2) | 25.4 |
| 8 (CH) | 47.9 |
| 9 (C) | 20.3 |
| 10 (C) | 28.7 |
| 11 (CH2) | 26 |
| 12 (CH2) | 32.6 |
| 13 (C) | 45.1 |
| 14 (C) | 48.7 |
| 15 (CH2) | 35.7 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 52.2 |
| 18 (CH3) | 18.1 |
| 19 (CH2) | 29.4 |
| 20 (CH) | 35.8 |
| 21 (CH3) | 18.2 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 24.9 |
| 24 (CH) | 125.2 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 15.4 |
| 30 (CH3) | 19.4 |
| 3a (C) | 175 |
| 3b (CH2) | 43.8 |
| 3c (CH) | 29.7 |
| 3d (CH3) | 22.4 |
| 3ca (CH3) | 22.5 |
