Acankoreoside K

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