(3β,5ξ,9ξ,13ξ,20R,23S)-21-Ethoxy-20-hydroxy-19-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-L-mannopyranosyl-(1->2)-[D-ribopyranosyl-(1->3)]-α-L-arabinopyranoside

(3β,5ξ,9ξ,13ξ,20R,23S)-21-Ethoxy-20-hydroxy-19-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-L-mannopyranosyl-(1->2)-[D-ribopyranosyl-(1->3)]-α-L-arabinopyranoside

Common Name: (3β,5ξ,9ξ,13ξ,20R,23S)-21-Ethoxy-20-hydroxy-19-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-L-mannopyranosyl-(1->2)-[D-ribopyranosyl-(1->3)]-α-L-arabinopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C48H78O17/c1-9-58-43-48(57,19-25(62-43)18-23(2)3)27-12-15-45(7)26(27)10-11-31-46(45,8)16-13-30-44(5,6)32(14-17-47(30,31)22-49)63-42-39(65-41-37(56)35(54)33(52)24(4)61-41)38(29(51)21-60-42)64-40-36(55)34(53)28(50)20-59-40/h18,22,24-43,50-57H,9-17,19-21H2,1-8H3/t24-,25+,26+,27-,28+,29-,30-,31-,32-,33-,34-,35+,36+,37+,38-,39+,40-,41-,42-,43?,45+,46+,47+,48-/m0/s1

InChIKey: InChIKey=SDFXNNGPMRGINM-IKBSRIHVSA-N

Formula: C48H78O17

Molecular Weight: 927.124586

Exact Mass: 926.523901

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Yin, F., Zhang, Y.N., Yang, Z.Y., Hu, L.H. Chem Biodivers (2006) 3, 771-82

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) 33.8
2 (CH2) 27.8
3 (CH) 87.4
4 (C) 40.7
5 (CH) 55.1
6 (CH2) 18.2
7 (CH2) 34.9
8 (C) 40.3
9 (CH) 53
10 (C) 53
11 (CH2) 22.4
12 (CH2) 25.8
13 (CH) 41.9
14 (C) 50.8
15 (CH2) 32
16 (CH2) 27.6
17 (CH) 46.3
18 (CH3) 16.2
19 (CH) 205.8
20 (C) 83.1
21 (CH) 104.6
22 (CH2) 43.8
23 (CH) 73.9
24 (CH) 129.5
25 (C) 134.1
26 (CH3) 18.2
27 (CH3) 25.8
28 (CH3) 26.7
29 (CH3) 16.9
30 (CH3) 17.5
1' (CH) 105
2' (CH) 74.8
3' (CH) 82
4' (CH) 68.7
5' (CH2) 62.9
1'' (CH) 102.3
2'' (CH) 72.8
3'' (CH) 72.7
4'' (CH) 74.1
5'' (CH) 70.3
6'' (CH3) 18.7
1''' (CH) 105.5
2''' (CH) 74.7
3''' (CH) 78
4''' (CH) 71.1
5''' (CH2) 67.2
21a (CH2) 63.7
21b (CH3) 15.9