Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C41H66O12/c1-19-11-17-41(36(47)48)18-12-23-22(33(41)40(19,8)49)9-10-25-38(23,6)15-13-24-37(4,5)26(14-16-39(24,25)7)52-34-31(46)29(44)32(21(3)51-34)53-35-30(45)28(43)27(42)20(2)50-35/h9,19-21,23-35,42-46,49H,10-18H2,1-8H3,(H,47,48)/t19-,20-,21-,23-,24+,25+,26+,27-,28+,29-,30-,31-,32-,33-,34+,35+,38+,39+,40-,41+/m1/s1

InChIKey: InChIKey=SCHXQYAHROMPJD-FIHKFJFLSA-N

Formula: C41H66O12

Molecular Weight: 750.957121

Exact Mass: 750.455428

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Hassanean, H.A., Elhamouly, M.M.A., Elmoghazy, S.A., Bishay, D.W. Phytochemistry (1993) 33, 667-70

Species:

Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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
2 (CH2) 27
3 (CH) 89.9
4 (C) 39.5
5 (CH) 55.7
6 (CH2) 18.9
7 (CH2) 37.5
8 (C) 40.3
9 (CH) 47
10 (C) 39.5
11 (CH2) 23.3
12 (CH) 128.9
13 (C) 135.7
14 (CH) 59.8
15 (CH2) 27.7
16 (CH2) 26.8
17 (C) 48.7
18 (CH) 54.8
19 (C) 39.7
20 (CH) 38.1
21 (CH2) 30.6
22 (CH2) 38
23 (CH3) 18.9
24 (CH3) 28
25 (CH3) 16.5
26 (CH3) 18.5
28 (C) 178.3
29 (CH3) 17
30 (CH3) 21.3
1' (CH) 104
2' (CH) 76.4
3' (CH) 76.7
4' (CH) 81
5' (CH) 76.7
6' (CH3) 18.5
1'' (CH) 104
2'' (CH) 76.4
3'' (CH) 79.5
4'' (CH) 72
5'' (CH) 77.9
6'' (CH3) 18.5