Spektraris NMR
Rubianoside I
Common Name: Rubianoside I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H60O10/c1-18(2)21-13-23-31-37(8)10-9-20-27(36(37,7)11-12-38(21,31)17-45-23)22(41)14-26-34(4,5)32(24(46-19(3)40)15-35(20,26)6)48-33-30(44)29(43)28(42)25(16-39)47-33/h9,18,21-33,39,41-44H,10-17H2,1-8H3/t21-,22-,23-,24+,25+,26-,27-,28+,29-,30+,31+,32-,33-,35+,36-,37+,38+/m0/s1
InChIKey: InChIKey=NCVHJBCXBZFWRS-BGKZYWRXSA-N
Formula: C38H60O10
Molecular Weight: 676.878459
Exact Mass: 676.418648
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Morikawa, T., Tao, J., Ando, S., Matsuda, H., Yoshikawa, M. J Nat Prod (2003) 66, 638-45
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Arborinanes; 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) | 43 |
| 2 (CH) | 70.5 |
| 3 (CH) | 88.4 |
| 4 (C) | 41.4 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 33.3 |
| 7 (CH) | 72.2 |
| 8 (CH) | 48.4 |
| 9 (C) | 146.7 |
| 10 (C) | 40.8 |
| 11 (CH) | 116.7 |
| 12 (CH2) | 37.8 |
| 13 (C) | 35.9 |
| 14 (C) | 39.2 |
| 15 (CH2) | 30.3 |
| 16 (CH2) | 26 |
| 17 (C) | 48.5 |
| 18 (CH) | 57.8 |
| 19 (CH) | 77.4 |
| 20 (CH2) | 41.3 |
| 21 (CH) | 54.4 |
| 22 (CH) | 31.1 |
| 23 (CH3) | 28.4 |
| 24 (CH3) | 18 |
| 25 (CH3) | 22.4 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 16.2 |
| 28 (CH2) | 68.5 |
| 29 (CH3) | 22.5 |
| 30 (CH3) | 23 |
| 1' (CH) | 171 |
| 2' (CH) | 21.8 |
| 3' (CH) | 106.3 |
| 4' (CH) | 75.9 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 72.1 |
| 2a (C) | 78.3 |
| 2b (CH3) | 63.3 |
