Spektraris NMR
(23R,24R)-16b ,23;16a ,24-diepoxy-12b -acetoxy-cycloart-7-en-3b ,15a ,25-triol 3-O-b -D-xylopyranoside
Common Name: (23R,24R)-16b ,23;16a ,24-diepoxy-12b -acetoxy-cycloart-7-en-3b ,15a ,25-triol 3-O-b -D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O11/c1-17-13-20-28(32(5,6)43)48-37(47-20)27(17)34(8)24(45-18(2)38)14-36-16-35(36)12-11-23(46-29-26(41)25(40)19(39)15-44-29)31(3,4)21(35)9-10-22(36)33(34,7)30(37)42/h10,17,19-21,23-30,39-43H,9,11-16H2,1-8H3/t17-,19-,20+,21+,23+,24-,25+,26-,27-,28-,29+,30-,33-,34-,35-,36+,37+/m1/s1
InChIKey: InChIKey=QPMGRAKRARWPMM-SOUFGVCASA-N
Formula: C37H56O11
Molecular Weight: 676.835365
Exact Mass: 676.382263
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshimitsu, H., Nishida, M., Sakaguchi, M., Nohara, T. Chem Pharm Bull (2006) 54, 1322-5
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) | 30.1 |
| 2 (CH2) | 29.6 |
| 3 (CH) | 88 |
| 4 (C) | 40.5 |
| 5 (CH) | 42.5 |
| 6 (CH2) | 21.8 |
| 7 (CH) | 114.9 |
| 8 (C) | 146.1 |
| 9 (C) | 21.4 |
| 10 (C) | 28.4 |
| 11 (CH2) | 37.2 |
| 12 (CH) | 76.8 |
| 13 (C) | 47 |
| 14 (C) | 51.4 |
| 15 (CH) | 77.9 |
| 16 (C) | 112.3 |
| 17 (CH) | 60.7 |
| 18 (CH3) | 13.9 |
| 19 (CH2) | 28.7 |
| 20 (CH) | 23.3 |
| 21 (CH3) | 19.8 |
| 22 (CH2) | 30.3 |
| 23 (CH) | 73.5 |
| 24 (CH) | 84.1 |
| 25 (C) | 68.6 |
| 26 (CH3) | 30.9 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 25.3 |
| 29 (CH3) | 18.4 |
| 30 (CH3) | 14.4 |
| 1' (CH) | 107.5 |
| 2' (CH) | 75.7 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.2 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.8 |
