Spektraris NMR
Acankoreoside K
Common Name: Acankoreoside K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O21/c1-20-29(52)31(54)34(57)39(65-20)68-37-23(17-49)66-38(36(59)33(37)56)64-18-24-30(53)32(55)35(58)40(67-24)69-42(62)48-14-9-22(46(5,63)19-50)28(48)21-7-8-25-43(2)12-11-27(51)47(6,41(60)61)26(43)10-13-45(25,4)44(21,3)15-16-48/h20-40,49-59,63H,7-19H2,1-6H3,(H,60,61)/t20-,21+,22+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39-,40-,43+,44+,45+,46?,47-,48-/m0/s1
InChIKey: InChIKey=VFRSAFYCGDBOSF-IRTNMHNMSA-N
Formula: C48H78O21
Molecular Weight: 991.122205
Exact Mass: 990.50356
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Nguyen, X.N., Phan, V.K., Chau, V.M., Do, T.H., Buu, H.T., Pham, H.Y., Nguyen, H.T., Hyun, J.H., Kang, H.K., Kim, Y.H. Planta Med (2010) 76, 189-94
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) | 34.23 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 73.37 |
| 4 (C) | 52.13 |
| 5 (CH) | 46.93 |
| 6 (CH2) | 22.28 |
| 7 (CH2) | 35.52 |
| 8 (C) | 43.04 |
| 9 (CH) | 52.03 |
| 10 (C) | 38.15 |
| 11 (CH2) | 22.48 |
| 12 (CH2) | 29.88 |
| 13 (CH) | 39.5 |
| 14 (C) | 44.58 |
| 15 (CH2) | 31.24 |
| 16 (CH2) | 33.18 |
| 17 (C) | 60.12 |
| 18 (CH) | 49.51 |
| 19 (CH) | 45.72 |
| 20 (C) | 76.16 |
| 21 (CH2) | 28.89 |
| 22 (CH2) | 37.5 |
| 23 (C) | 184.29 |
| 24 (CH3) | 18.45 |
| 25 (CH3) | 17.44 |
| 26 (CH3) | 17.29 |
| 27 (CH3) | 15.62 |
| 28 (C) | 177.02 |
| 29 (CH2) | 71.23 |
| 30 (CH3) | 19.66 |
| 1' (CH) | 95.44 |
| 2' (CH) | 73.98 |
| 3' (CH) | 78.33 |
| 4' (CH) | 71.14 |
| 5' (CH) | 78.21 |
| 6' (CH2) | 69.66 |
| 1'' (CH) | 104.61 |
| 2'' (CH) | 75.43 |
| 3'' (CH) | 76.81 |
| 4'' (CH) | 79.68 |
| 5'' (CH) | 76.99 |
| 6'' (CH2) | 62.02 |
| 1''' (CH) | 103.03 |
| 2''' (CH) | 72.27 |
| 3''' (CH) | 72.55 |
| 4''' (CH) | 73.84 |
| 5''' (CH) | 70.78 |
| 6''' (CH3) | 18 |
