Spektraris NMR
(1α,3β,9β,16β,24E)-9,19-Cyclolanost-24-ene-1,3,16,26-tetrol
Common Name: (1α,3β,9β,16β,24E)-9,19-Cyclolanost-24-ene-1,3,16,26-tetrol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-18(16-31)8-7-9-19(2)25-20(32)15-28(6)22-11-10-21-26(3,4)23(33)14-24(34)30(21)17-29(22,30)13-12-27(25,28)5/h8,19-25,31-34H,7,9-17H2,1-6H3/b18-8+/t19-,20+,21+,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=CMHIBOLGFILZCI-KVZRNSMYSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
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) | 73.6 |
| 2 (CH2) | 36.8 |
| 3 (CH) | 73.8 |
| 4 (C) | 40.5 |
| 5 (CH) | 39.6 |
| 6 (CH2) | 20.7 |
| 7 (CH2) | 24.7 |
| 8 (CH) | 48 |
| 9 (C) | 20.7 |
| 10 (C) | 30.5 |
| 11 (CH2) | 25.85 |
| 12 (CH2) | 32.8 |
| 13 (C) | 45.4 |
| 14 (C) | 46.8 |
| 15 (CH2) | 48.2 |
| 16 (CH) | 72.7 |
| 17 (CH) | 56.5 |
| 18 (CH3) | 19.1 |
| 19 (CH2) | 30.2 |
| 20 (CH) | 29.6 |
| 21 (CH3) | 17.9 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 126.4 |
| 25 (C) | 135.4 |
| 26 (CH2) | 68.8 |
| 27 (CH3) | 13.7 |
| 28 (CH3) | 25.2 |
| 29 (CH3) | 20.2 |
| 30 (CH3) | 13.1 |
