Spektraris NMR
b-D-xyfopyranosy(1-->2)-b-D-glucopyranosyl ester
Common Name: b-D-xyfopyranosy(1-->2)-b-D-glucopyranosyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O12/c1-16-5-8-21-30(2,18(16)7-6-17-9-12-39-14-17)10-4-11-31(21,3)29(38)43-28-26(24(36)23(35)20(13-32)41-28)42-27-25(37)22(34)19(33)15-40-27/h9,12,14,19-28,32-37H,4-8,10-11,13,15H2,1-3H3/t19-,20+,21+,22+,23+,24-,25+,26+,27-,28-,30+,31-/m0/s1
InChIKey: InChIKey=MGFWZULLFYLVNO-TUZBTLIWSA-N
Formula: C31H46O12
Molecular Weight: 610.690947
Exact Mass: 610.298927
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katagiri, M., Ohtani, K., Kasai, R., Yamasaki, K., Yang, C.R., Tanaka, O. Phytochemistry (1994) 35, 439-42
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 37.5 |
| 2 (CH2) | 19.9 |
| 3 (CH2) | 38.1 |
| 4 (C) | 44.5 |
| 5 (CH) | 53.9 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 34.7 |
| 8 (C) | 127.2 |
| 9 (C) | 139.5 |
| 10 (C) | 40.2 |
| 11 (CH2) | 29.2 |
| 12 (CH2) | 26.1 |
| 13 (C) | 126.1 |
| 14 (CH) | 111.5 |
| 15 (CH) | 143.3 |
| 16 (CH) | 139.1 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 28.5 |
| 19 (C) | 176.6 |
| 20 (CH3) | 18.8 |
| 1' (CH) | 93.5 |
| 2' (CH) | 81 |
| 3' (CH) | 78.5 |
| 4' (CH) | 70.9 |
| 5' (CH) | 78.9 |
| 6' (CH2) | 62.2 |
| 1'' (CH) | 106.2 |
| 2'' (CH) | 76 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.1 |
| 5'' (CH2) | 67.3 |
