Spektraris NMR
(3β,9β)-23-Oxo-9,19-cyclolanost-24-ene-3,28-diyl bis(hydrogen sulfate)
Common Name: (3β,9β)-23-Oxo-9,19-cyclolanost-24-ene-3,28-diyl bis(hydrogen sulfate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O9S2/c1-19(2)15-21(31)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-38-40(32,33)34)25(39-41(35,36)37)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20,22-25H,7-14,16-18H2,1-6H3,(H,32,33,34)(H,35,36,37)/t20-,22-,23+,24+,25+,26+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=GQPWURSJMXLUAW-PAEBMLBLSA-N
Formula: C30H48O9S2
Molecular Weight: 616.830047
Exact Mass: 616.273975
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Clement, J.A., Zhou, B.N., Johnson, R.K., Kingston, D.G.I. Magn Reson Chem (2003) 41, 644-6
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 (CH2) | 32.6 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 81.2 |
| 4 (C) | 44.5 |
| 5 (CH) | 41.7 |
| 6 (CH2) | 21.5 |
| 7 (CH2) | 26.8 |
| 8 (CH) | 49.7 |
| 9 (C) | 21.1 |
| 10 (C) | 26.5 |
| 11 (CH2) | 27.4 |
| 12 (CH2) | 34 |
| 13 (C) | 46.6 |
| 14 (C) | 50.1 |
| 15 (CH2) | 36.7 |
| 16 (CH2) | 29.4 |
| 17 (CH) | 53.9 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 30.8 |
| 20 (CH) | 34.9 |
| 21 (CH3) | 19.7 |
| 22 (CH2) | 52.7 |
| 23 (C) | 204.2 |
| 24 (CH) | 125.3 |
| 25 (C) | 156.9 |
| 26 (CH3) | 20.8 |
| 27 (CH3) | 27.7 |
| 28 (CH3) | 19.8 |
| 29 (CH2) | 69.7 |
| 30 (CH3) | 11.7 |
