(3β,7β,24Z)-7,18,20,26-Tetrahydroxydammar-24-en-3-yl 2-O-(3-O-acetyl-α-L-arabinopyranosyl)-β-D-glucopyranoside

(3β,7β,24Z)-7,18,20,26-Tetrahydroxydammar-24-en-3-yl 2-O-(3-O-acetyl-α-L-arabinopyranosyl)-β-D-glucopyranoside

Common Name: (3β,7β,24Z)-7,18,20,26-Tetrahydroxydammar-24-en-3-yl 2-O-(3-O-acetyl-α-L-arabinopyranosyl)-β-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C43H72O15/c1-22(18-44)9-8-14-42(7,53)25-12-16-41(6)24(25)10-11-28-40(5)15-13-31(39(3,4)29(40)17-30(49)43(28,41)21-46)57-38-36(33(51)32(50)27(19-45)56-38)58-37-34(52)35(55-23(2)47)26(48)20-54-37/h9,24-38,44-46,48-53H,8,10-21H2,1-7H3/b22-9+/t24-,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37+,38+,40-,41-,42+,43+/m1/s1

InChIKey: InChIKey=WXGZDIIUZXIKHF-IYTKDKIUSA-N

Formula: C43H72O15

Molecular Weight: 829.024452

Exact Mass: 828.487122

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Liu, W.Y., Zhang, W.D., Chen, H.S., Gu, Z.B., Li, T.Z., Chen, W.S. Planta Med (2004) 70, 458-64

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) 39.3
2 (CH2) 26.7
3 (CH) 88.4
4 (C) 39.4
5 (CH) 54.5
6 (CH2) 29.8
7 (CH) 77.8
8 (C) 49
9 (CH) 51.8
10 (C) 37.2
11 (CH2) 22.6
12 (CH2) 27.9
13 (CH) 44.3
14 (C) 50
15 (CH2) 36.2
16 (CH2) 25.5
17 (CH) 49.2
18 (CH2) 61.4
19 (CH3) 16.6
20 (C) 74
21 (CH3) 26.1
22 (CH2) 41.1
23 (CH2) 22.6
24 (CH) 125.3
25 (C) 135.7
26 (CH2) 67.9
27 (CH3) 13.7
28 (CH3) 27.6
29 (CH3) 16.3
30 (CH3) 16.6
1' (CH) 104.7
2' (CH) 84
3' (CH) 77.8
4' (CH) 71.4
5' (CH) 77.9
6' (CH2) 62.6
1'' (CH) 106.9
2'' (CH) 71.1
3'' (CH) 76.7
4'' (CH) 66.8
5'' (CH2) 67.4
3''a (C) 170.4
3''b (CH3) 20.8