Spektraris NMR
Acankoreoside D
Common Name: Acankoreoside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H76O19/c1-20(2)22-8-13-48(15-14-46(6)23(29(22)48)16-24(51)39-44(4)11-10-28(52)45(5,19-50)27(44)9-12-47(39,46)7)43(61)67-42-36(59)33(56)31(54)26(65-42)18-62-40-37(60)34(57)38(25(17-49)64-40)66-41-35(58)32(55)30(53)21(3)63-41/h19,21-42,49,51-60H,1,8-18H2,2-7H3/t21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31+,32+,33-,34+,35+,36+,37+,38+,39+,40+,41-,42-,44-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=YDUPASYHRRYIHO-KJRIBHMSSA-N
Formula: C48H76O19
Molecular Weight: 957.107514
Exact Mass: 956.49808
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chang, S.Y., Yook, C.S., Nohara, T. Phytochemistry (1999) 50, 1369-74
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 34.9 |
| 2 (CH2) | 26.8 |
| 3 (CH) | 72.7 |
| 4 (C) | 52.6 |
| 5 (CH) | 43.9 |
| 6 (CH2) | 21 |
| 7 (CH2) | 35.2 |
| 8 (C) | 42.4 |
| 9 (CH) | 55.6 |
| 10 (C) | 38.7 |
| 11 (CH) | 69.4 |
| 12 (CH2) | 37.8 |
| 13 (CH) | 37 |
| 14 (C) | 43 |
| 15 (CH2) | 29.6 |
| 16 (CH2) | 31.9 |
| 17 (C) | 56.6 |
| 18 (CH) | 49.1 |
| 19 (CH) | 46.8 |
| 20 (C) | 150.1 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 36.4 |
| 23 (CH) | 209.7 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 17.4 |
| 27 (CH3) | 14.4 |
| 28 (C) | 174.6 |
| 29 (CH2) | 109.9 |
| 30 (CH3) | 19.2 |
| 1' (CH) | 94.9 |
| 2' (CH) | 73.7 |
| 3' (CH) | 78.3 |
| 4' (CH) | 70.5 |
| 5' (CH) | 77.7 |
| 6' (CH2) | 69.1 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 74.9 |
| 3'' (CH) | 76.1 |
| 4'' (CH) | 77.9 |
| 5'' (CH) | 76.8 |
| 6'' (CH2) | 61 |
| 1''' (CH) | 102.4 |
| 2''' (CH) | 72.2 |
| 3''' (CH) | 72.4 |
| 4''' (CH) | 73.6 |
| 5''' (CH) | 70 |
| 6''' (CH3) | 18.2 |
