Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C49H78O18/c1-22(2)18-25-19-49(59,44(58)63-25)27-12-16-47(8)26(27)10-11-31-46(7)15-14-32(45(5,6)30(46)13-17-48(31,47)9)65-43-40(67-42-38(57)36(55)33(52)23(3)62-42)39(35(54)29(64-43)21-60-24(4)50)66-41-37(56)34(53)28(51)20-61-41/h18,23,25-43,51-57,59H,10-17,19-21H2,1-9H3/t23-,25+,26?,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1
InChIKey: InChIKey=AXBJYHWXSQPRFA-GVJFKKTGSA-N
Formula: C49H78O18
Molecular Weight: 955.134726
Exact Mass: 954.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ying, F., Hu, L.-H. Helv Chim Acta (2005) 88, 1126-34
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)
Position | PPM |
---|---|
1 (CH2) | 39.9 |
2 (CH2) | 26.9 |
3 (CH) | 89.6 |
4 (C) | 39.8 |
5 (CH) | 56.9 |
6 (CH2) | 18.6 |
7 (CH2) | 35.8 |
8 (C) | 40.9 |
9 (CH) | 51.3 |
10 (C) | 37.3 |
11 (CH2) | 21.9 |
12 (CH2) | 26.4 |
13 (CH) | 45.1 |
14 (C) | 50.3 |
15 (CH2) | 31.9 |
16 (CH2) | 28.1 |
17 (CH) | 45.5 |
18 (CH3) | 15.8 |
19 (CH3) | 16.7 |
20 (C) | 81.2 |
21 (C) | 178.4 |
22 (CH2) | 39.2 |
23 (CH) | 75.3 |
24 (CH) | 124.1 |
25 (C) | 139.6 |
26 (CH3) | 18.3 |
27 (CH3) | 25.7 |
28 (CH3) | 28 |
29 (CH3) | 16.9 |
30 (CH3) | 16.4 |
1' (CH) | 105.1 |
2' (CH) | 76.8 |
3' (CH) | 87.9 |
4' (CH) | 70 |
5' (CH) | 74.5 |
6' (CH2) | 64.2 |
7' (C) | 170.8 |
8' (CH3) | 20.9 |
1'' (CH) | 101.9 |
2'' (CH) | 72.6 |
3'' (CH) | 72.4 |
4'' (CH) | 74 |
5'' (CH) | 70 |
6'' (CH3) | 18.7 |
1''' (CH) | 105 |
2''' (CH) | 74.9 |
3''' (CH) | 78.4 |
4''' (CH) | 70.7 |
5''' (CH2) | 67.4 |