Spektraris NMR
Acankoreoside L
Common Name: Acankoreoside L
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C50H82O21/c1-21(40(64-7)65-8)23-11-16-50(18-17-47(4)24(30(23)50)9-10-27-46(3)14-13-29(52)49(6,44(61)62)28(46)12-15-48(27,47)5)45(63)71-43-37(59)34(56)32(54)26(69-43)20-66-41-38(60)35(57)39(25(19-51)68-41)70-42-36(58)33(55)31(53)22(2)67-42/h21-43,51-60H,9-20H2,1-8H3,(H,61,62)/t21?,22-,23-,24+,25+,26+,27+,28+,29+,30+,31-,32+,33+,34-,35+,36+,37+,38+,39+,41+,42-,43-,46+,47+,48+,49-,50-/m0/s1
InChIKey: InChIKey=JOSLCWKHJSEGSM-VLUFWMDMSA-N
Formula: C50H82O21
Molecular Weight: 1019.17544
Exact Mass: 1018.53486
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) | 33.91 |
| 2 (CH2) | 26.19 |
| 3 (CH) | 73.66 |
| 4 (C) | 52.33 |
| 5 (CH) | 46.29 |
| 6 (CH2) | 22.37 |
| 7 (CH2) | 35.31 |
| 8 (C) | 42.66 |
| 9 (CH) | 51.72 |
| 10 (C) | 38.18 |
| 11 (CH2) | 22.02 |
| 12 (CH2) | 28.34 |
| 13 (CH) | 39.47 |
| 14 (C) | 44.03 |
| 15 (CH2) | 30.9 |
| 16 (CH2) | 32.95 |
| 17 (C) | 58.03 |
| 18 (CH) | 49.77 |
| 19 (CH) | 39.31 |
| 20 (CH) | 39.5 |
| 21 (CH2) | 24.38 |
| 22 (CH2) | 38.35 |
| 23 (C) | 181.8 |
| 24 (CH3) | 18.2 |
| 25 (CH3) | 17.24 |
| 26 (CH3) | 17.04 |
| 27 (CH3) | 15.19 |
| 28 (C) | 176.48 |
| 29 (CH) | 110.32 |
| 30 (CH3) | 8.9 |
| 1' (CH) | 95.36 |
| 2' (CH) | 74.1 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.02 |
| 5' (CH) | 77.93 |
| 6' (CH2) | 69.87 |
| 1'' (CH) | 104.85 |
| 2'' (CH) | 75.41 |
| 3'' (CH) | 76.83 |
| 4'' (CH) | 79.63 |
| 5'' (CH) | 77.05 |
| 6'' (CH2) | 62.07 |
| 1''' (CH) | 103.04 |
| 2''' (CH) | 72.35 |
| 3''' (CH) | 72.58 |
| 4''' (CH) | 73.88 |
| 5''' (CH) | 70.8 |
| 6''' (CH3) | 18 |
| 29a (CH3) | 54.78 |
| 29b (CH3) | 54.26 |
