Spektraris NMR
Pipeloside A
Common Name: Pipeloside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O17/c1-12-7-14(34)8-31(3,4)15(12)6-5-13(2)44-29-26(42)23(39)27(17(10-33)46-29)48-30-25(41)22(38)20(36)18(47-30)11-43-28-24(40)21(37)19(35)16(9-32)45-28/h7,13,15-30,32-33,35-42H,5-6,8-11H2,1-4H3/t13-,15-,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=SQMQVXRQOUEOTA-IVZWGZLRSA-N
Formula: C31H52O17
Molecular Weight: 696.735616
Exact Mass: 696.32045
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Masuoka, C., Ono, M., Ito, Y., Okawa, M., Nohara, T. Chem Pharm Bull (2002) 50, 1413-5
Species:
Notes: Family : Terpenoids, Type : Miscellanea, Group : Megastigmanes; 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 (C) | 36.2 |
| 2 (CH2) | 47.7 |
| 3 (C) | 198.4 |
| 4 (CH) | 125.3 |
| 5 (C) | 165.2 |
| 6 (CH) | 51 |
| 7 (CH2) | 25.9 |
| 8 (CH2) | 36.9 |
| 9 (CH) | 74.7 |
| 10 (CH3) | 19.9 |
| 11 (CH3) | 27.1 |
| 12 (CH3) | 28.7 |
| 13 (CH3) | 24.3 |
| 1' (CH) | 102.1 |
| 2' (CH) | 74.3 |
| 3' (CH) | 76.7 |
| 4' (CH) | 80.8 |
| 5' (CH) | 76.4 |
| 6' (CH2) | 61.7 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 74.5 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 81.5 |
| 5'' (CH) | 76.3 |
| 6'' (CH2) | 62.3 |
| 1''' (CH) | 104.9 |
| 2''' (CH) | 74.7 |
| 3''' (CH) | 78.2 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.4 |
| 6''' (CH2) | 62.4 |
