Spektraris NMR
1a,3b-Hydroxyimberbic acid-23-O-a-L-3,4-diacetylrhamnopyranoside
Common Name: 1a,3b-Hydroxyimberbic acid-23-O-a-L-3,4-diacetylrhamnopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H62O11/c1-21-31(50-22(2)41)32(51-23(3)42)30(45)33(49-21)48-20-37(6)26-12-13-39(8)27(40(26,9)29(44)18-28(37)43)11-10-24-25-19-36(5,34(46)47)15-14-35(25,4)16-17-38(24,39)7/h10,21,25-33,43-45H,11-20H2,1-9H3,(H,46,47)/t21-,25-,26-,27-,28-,29-,30+,31-,32-,33+,35+,36+,37-,38+,39+,40-/m0/s1
InChIKey: InChIKey=PNIWMDGKYRCTQD-ZLBBEDGDSA-N
Formula: C40H62O11
Molecular Weight: 718.915217
Exact Mass: 718.429213
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Katerere, D.R., Gray, A.I., Nash, R.J., Waigh, R.D. Phytochemistry (2003) 63, 81-8
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 (CH) | 73.1 |
| 2 (CH2) | 35 |
| 3 (CH) | 67.8 |
| 4 (C) | 41.3 |
| 5 (CH) | 42 |
| 6 (CH2) | 19.5 |
| 7 (CH2) | 33.4 |
| 8 (C) | 41.2 |
| 9 (CH) | 39.6 |
| 10 (C) | 43.7 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 124.6 |
| 13 (C) | 145.7 |
| 14 (C) | 42.4 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 28.5 |
| 17 (C) | 33.9 |
| 18 (CH) | 48 |
| 19 (CH2) | 42.4 |
| 20 (C) | 43.9 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 37.5 |
| 23 (CH2) | 71.7 |
| 24 (CH3) | 13.2 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 18.1 |
| 27 (CH3) | 27.1 |
| 28 (CH3) | 29.1 |
| 29 (C) | 183.2 |
| 30 (CH3) | 20.2 |
| 1' (CH) | 102 |
| 2' (CH) | 70.4 |
| 3' (CH) | 74 |
| 4' (CH) | 73.3 |
| 5' (CH) | 68.1 |
| 6' (CH3) | 18.1 |
| 3'a (C) | 172.2 |
| 3'b (CH3) | 21.2 |
| 4'a (C) | 172.2 |
| 4'b (CH3) | 21.3 |
