Spektraris NMR
24-O-Acetyldahurinol-3-O-b -D-xylopyranoside
Common Name: 24-O-Acetyldahurinol-3-O-b -D-xylopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H58O10/c1-18-15-21(30(33(5,6)43)45-19(2)38)46-28-25(18)34(7)13-14-37-17-36(37)12-11-24(47-31-27(41)26(40)20(39)16-44-31)32(3,4)22(36)9-10-23(37)35(34,8)29(28)42/h18,20-28,30-31,39-41,43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,27-,28-,30-,31+,34-,35-,36-,37+/m1/s1
InChIKey: InChIKey=LCIQFCBYTOZSAR-WQHLBGDNSA-N
Formula: C37H58O10
Molecular Weight: 662.851841
Exact Mass: 662.402998
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) | 32.8 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 88.7 |
| 4 (C) | 41.6 |
| 5 (CH) | 47.8 |
| 6 (CH2) | 21.2 |
| 7 (CH2) | 26.2 |
| 8 (CH) | 44 |
| 9 (C) | 20.3 |
| 10 (C) | 27.3 |
| 11 (CH2) | 26.4 |
| 12 (CH2) | 31.5 |
| 13 (C) | 40.3 |
| 14 (C) | 55.4 |
| 15 (C) | 214 |
| 16 (CH) | 84.4 |
| 17 (CH) | 52.8 |
| 18 (CH3) | 20.6 |
| 19 (CH2) | 31.7 |
| 20 (CH) | 33.4 |
| 21 (CH3) | 20.3 |
| 22 (CH2) | 38.2 |
| 23 (CH) | 80.1 |
| 24 (CH) | 80.5 |
| 25 (C) | 72 |
| 26 (CH3) | 27.3 |
| 27 (CH3) | 27.4 |
| 28 (CH3) | 26 |
| 29 (CH3) | 15.7 |
| 30 (CH3) | 17.6 |
| 1' (CH) | 107.8 |
| 2' (CH) | 75.9 |
| 3' (CH) | 78.9 |
| 4' (CH) | 71.6 |
| 5' (CH2) | 67.4 |
| 24a (C) | 170.6 |
| 24b (CH3) | 21.2 |
