Spektraris NMR
25-Anhydrocimicigenol-3-O-b -D-(2 -O-acetyl)xylopyranoside
Common Name: 25-Anhydrocimicigenol-3-O-b -D-(2 -O-acetyl)xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O9/c1-18(2)27-22-15-19(3)29-33(7)13-14-36-17-35(36)12-11-25(44-30-28(43-20(4)38)26(40)21(39)16-42-30)32(5,6)23(35)9-10-24(36)34(33,8)31(41)37(29,45-22)46-27/h19,21-31,39-41H,1,9-17H2,2-8H3/t19-,21-,22+,23+,24+,25+,26+,27-,28-,29-,30+,31-,33-,34-,35-,36+,37+/m1/s1
InChIKey: InChIKey=SGRPEASUEYQPFC-WHWXOUTPSA-N
Formula: C37H56O9
Molecular Weight: 644.836555
Exact Mass: 644.392433
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, L., Yang, J.S., Tu, G.Z., Zou, J.H. Chem Pharm Bull (2006) 54, 823-6
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) | 32.5 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 88.6 |
| 4 (C) | 41.4 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 26.4 |
| 8 (CH) | 48.6 |
| 9 (C) | 20.1 |
| 10 (C) | 26.7 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 34.1 |
| 13 (C) | 41.8 |
| 14 (C) | 47.3 |
| 15 (CH) | 80.4 |
| 16 (C) | 112.3 |
| 17 (CH) | 59.9 |
| 18 (CH3) | 19.5 |
| 19 (CH2) | 30.9 |
| 20 (CH) | 23.9 |
| 21 (CH3) | 19.5 |
| 22 (CH2) | 38.1 |
| 23 (CH) | 75 |
| 24 (CH) | 86.7 |
| 25 (C) | 145.9 |
| 26 (CH2) | 113 |
| 27 (CH3) | 18.2 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 11.9 |
| 1' (CH) | 104.7 |
| 2' (CH) | 75.6 |
| 3' (CH) | 76.3 |
| 4' (CH) | 71.3 |
| 5' (CH2) | 67.1 |
| 2'a (C) | 170 |
| 2'b (CH3) | 21.3 |
