Common Name:

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C49H82O17/c1-10-59-44-49(58,20-25(62-44)19-23(2)3)27-13-17-47(8)26(27)11-12-31-46(7)16-15-32(45(5,6)30(46)14-18-48(31,47)9)64-43-40(66-42-38(57)36(55)33(52)24(4)61-42)39(35(54)29(21-50)63-43)65-41-37(56)34(53)28(51)22-60-41/h19,24-44,50-58H,10-18,20-22H2,1-9H3/t24-,25+,26+,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,44?,46-,47+,48+,49-/m0/s1

InChIKey: InChIKey=RQARFOZNVDCHMD-PVRQGVTMSA-N

Formula: C49H82O17

Molecular Weight: 943.167085

Exact Mass: 942.555201

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) 39.4
2 (CH2) 27.2
3 (CH) 89.2
4 (C) 40
5 (CH) 56.9
6 (CH2) 18.8
7 (CH2) 35.9
8 (C) 41
9 (CH) 51.2
10 (C) 37.3
11 (CH2) 22
12 (CH2) 26
13 (CH) 42.2
14 (C) 51.1
15 (CH2) 31.7
16 (CH2) 28
17 (CH) 46.4
18 (CH3) 16.1
19 (CH3) 16.8
20 (C) 83.3
21 (CH) 104.6
22 (CH2) 43.8
23 (CH) 74
24 (CH) 129.6
25 (C) 134.1
26 (CH3) 18.2
27 (CH3) 26
28 (CH3) 28.2
29 (CH3) 17.2
30 (CH3) 17.1
1' (CH) 105.3
2' (CH) 77.3
3' (CH) 88.5
4' (CH) 70.1
5' (CH) 78.3
6' (CH2) 62.9
1'' (CH) 102.1
2'' (CH) 72.8
3'' (CH) 72.7
4'' (CH) 74.2
5'' (CH) 70.2
6'' (CH3) 19
1''' (CH) 105.2
2''' (CH) 75.2
3''' (CH) 78.6
4''' (CH) 70.4
5''' (CH2) 67.6
21a (CH2) 63.7
21b (CH3) 15.9