Acankoreoside L

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