Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C43H72O14/c1-22(19-44)10-9-15-42(7,52)25-13-17-41(6)24(25)11-12-28-40(5)16-14-31(39(3,4)29(40)18-30(48)43(28,41)8)56-38-36(33(50)32(49)27(20-45)55-38)57-37-34(51)35(54-23(2)46)26(47)21-53-37/h10,24-38,44-45,47-52H,9,11-21H2,1-8H3/b22-10+/t24-,25+,26+,27-,28-,29+,30+,31+,32-,33+,34-,35+,36-,37+,38+,40-,41-,42+,43+/m1/s1

InChIKey: InChIKey=XDWPVPHFHNQHIE-CGLBGBRRSA-N

Formula: C43H72O14

Molecular Weight: 813.025047

Exact Mass: 812.492207

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) 39.4
2 (CH2) 26.9
3 (CH) 88.8
4 (C) 39.6
5 (CH) 54.1
6 (CH2) 29.1
7 (CH) 74.8
8 (C) 46.6
9 (CH) 50.9
10 (C) 37
11 (CH2) 22.1
12 (CH2) 28.3
13 (CH) 43.6
14 (C) 50.4
15 (CH2) 35.5
16 (CH2) 25.9
17 (CH) 49.8
18 (CH3) 10.5
19 (CH3) 16.6
20 (C) 74.2
21 (CH3) 26.3
22 (CH2) 41.6
23 (CH2) 22.9
24 (CH) 125.6
25 (C) 136.1
26 (CH2) 68.2
27 (CH3) 14
28 (CH3) 27.8
29 (CH3) 16.4
30 (CH3) 16.7
1' (CH) 105
2' (CH) 84.4
3' (CH) 78.1
4' (CH) 71.7
5' (CH) 78.2
6' (CH2) 62.9
1'' (CH) 107.2
2'' (CH) 71.4
3'' (CH) 77
4'' (CH) 67
5'' (CH2) 67.7
3''a (C) 170.7
3''b (CH3) 21