3-O-b-D-glucopyranosyl-2a-hydroxy-24-en-dammaran-20(S)-yl O-b-D-xylopyranosyl-(1-->6)-b-D-glucopyranoside

3-O-b-D-glucopyranosyl-2a-hydroxy-24-en-dammaran-20(S)-yl O-b-D-xylopyranosyl-(1-->6)-b-D-glucopyranoside

Common Name: 3-O-b-D-glucopyranosyl-2a-hydroxy-24-en-dammaran-20(S)-yl O-b-D-xylopyranosyl-(1-->6)-b-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C47H80O17/c1-22(2)10-9-15-47(8,64-42-38(58)35(55)33(53)28(62-42)21-60-40-36(56)31(51)26(50)20-59-40)24-13-16-45(6)23(24)11-12-30-44(5)18-25(49)39(43(3,4)29(44)14-17-46(30,45)7)63-41-37(57)34(54)32(52)27(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25-,26-,27-,28-,29+,30-,31+,32-,33-,34+,35+,36-,37-,38-,39+,40+,41+,42+,44+,45-,46-,47+/m1/s1

InChIKey: InChIKey=OZFQHVFSXXTIIG-QPPGMQAESA-N

Formula: C47H80O17

Molecular Weight: 917.129731

Exact Mass: 916.539551

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Liu, X., Ye, W., Mo, Z., Yu, B., Wu, H., Zhao, S., Che, C., Hsiao, W.L. Planta Med (2005) 71, 880-4

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) 48.2
2 (CH) 67.1
3 (CH) 95.6
4 (C) 41.1
5 (CH) 56.4
6 (CH2) 18.8
7 (CH2) 35.8
8 (C) 40.9
9 (CH) 51.9
10 (C) 38.2
11 (CH2) 22.4
12 (CH2) 25.9
13 (CH) 42.9
14 (C) 51.3
15 (CH2) 31.8
16 (CH2) 28.2
17 (CH) 48.7
18 (CH3) 16
19 (CH3) 18
20 (C) 82.5
21 (CH3) 21.6
22 (CH2) 40.6
23 (CH2) 23.5
24 (CH) 126.3
25 (C) 130.7
26 (CH3) 26.2
27 (CH3) 18.3
28 (CH3) 28.7
29 (CH3) 18.3
30 (CH3) 17.2
1' (CH) 106.7
2' (CH) 75.8
3' (CH) 78.9
4' (CH) 71.3
5' (CH) 78.8
6' (CH2) 62.8
1'' (CH) 98.8
2'' (CH) 75.7
3'' (CH) 79.2
4'' (CH) 72
5'' (CH) 76.8
6'' (CH2) 70.6
1''' (CH) 106.1
2''' (CH) 75
3''' (CH) 78.2
4''' (CH) 71.8
5''' (CH2) 67.2