Spektraris NMR
28-O-b-D-glucopyramosyl ester
Common Name: 28-O-b-D-glucopyramosyl ester
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H62O14/c1-38(2)11-13-43(37(54)57-36-33(51)32(50)31(49)27(19-44)56-36)14-12-41(5)22(23(43)17-38)7-8-29-39(3)18-26(47)34(52)40(4,28(39)9-10-42(29,41)6)20-55-35(53)21-15-24(45)30(48)25(46)16-21/h7,15-16,23,26-29,31-34,36,44-52H,8-14,17-20H2,1-6H3/t23-,26+,27+,28+,29+,31+,32-,33+,34-,36-,39-,40-,41+,42+,43-/m0/s1
InChIKey: InChIKey=JJZYSZZGDXLURN-IVHXVSHPSA-N
Formula: C43H62O14
Molecular Weight: 802.945639
Exact Mass: 802.413957
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Conrad, J., Vogler, B., Klaiber, I., Roos, G., Walter, U., Kraus, W. Phytochemistry (1988) 48, 647-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 47.8 |
| 2 (CH) | 68.3 |
| 3 (CH) | 77.6 |
| 4 (C) | 43.2 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 32.9 |
| 8 (C) | 39.9 |
| 9 (CH) | 48.5 |
| 10 (C) | 38.2 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 127.7 |
| 13 (C) | 144.2 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28 |
| 16 (CH2) | 23.4 |
| 17 (C) | 47 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 46.2 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.5 |
| 23 (CH2) | 67 |
| 24 (CH3) | 14 |
| 25 (CH3) | 17.3 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 25.9 |
| 28 (C) | 176.5 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.6 |
| 1' (CH) | 95.7 |
| 2' (CH) | 74 |
| 3' (CH) | 78.8 |
| 4' (CH) | 71 |
| 5' (CH) | 79.3 |
| 6' (CH2) | 62.2 |
| 23a (C) | 167.1 |
| 23b (C) | 121.5 |
| 23c (CH) | 110 |
| 23d (C) | 147.5 |
| 23e (C) | 140.7 |
| 23f (C) | 147.5 |
| 23g (CH) | 110 |
