Spektraris NMR
1a,3b-Hydroxyimberbic acid-23-O-a-L-4-acetylrhamnopyranoside
Common Name: 1a,3b-Hydroxyimberbic acid-23-O-a-L-4-acetylrhamnopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H60O10/c1-20-30(48-21(2)39)28(42)29(43)31(47-20)46-19-35(5)24-11-12-37(7)25(38(24,8)27(41)17-26(35)40)10-9-22-23-18-34(4,32(44)45)14-13-33(23,3)15-16-36(22,37)6/h9,20,23-31,40-43H,10-19H2,1-8H3,(H,44,45)/t20-,23-,24-,25-,26-,27-,28+,29+,30+,31+,33+,34+,35-,36+,37+,38-/m0/s1
InChIKey: InChIKey=QIGMTEXRXCSXEZ-FVZZWMMJSA-N
Formula: C38H60O10
Molecular Weight: 676.878459
Exact Mass: 676.418648
NMR Solvent: CD3OD
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 |
| 2 (CH2) | 35.1 |
| 3 (CH) | 67.6 |
| 4 (C) | 41.2 |
| 5 (CH) | 41.7 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 33.4 |
| 8 (C) | 37.5 |
| 9 (CH) | 39.7 |
| 10 (C) | 43.7 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 124.7 |
| 13 (C) | 145.7 |
| 14 (C) | 42.4 |
| 15 (CH2) | 27.8 |
| 16 (CH2) | 28.4 |
| 17 (C) | 33.9 |
| 18 (CH) | 47.9 |
| 19 (CH2) | 42.3 |
| 20 (C) | 43.9 |
| 21 (CH2) | 30.8 |
| 22 (CH2) | 36.5 |
| 23 (CH2) | 71.2 |
| 24 (CH3) | 13.1 |
| 25 (CH3) | 17.8 |
| 26 (CH3) | 18.1 |
| 27 (CH3) | 27.2 |
| 28 (CH3) | 29.1 |
| 29 (C) | 183.2 |
| 30 (CH3) | 20.2 |
| 1' (CH) | 101.9 |
| 2' (CH) | 73 |
| 3' (CH) | 72.3 |
| 4' (CH) | 76.1 |
| 5' (CH) | 68 |
| 6' (CH3) | 18 |
| 4'a (C) | 172.9 |
| 4'b (CH3) | 21.6 |
