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)
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 |