Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H70O15/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(48)43(28,41)21-46)57-38-36(34(51)32(49)26(19-45)56-38)58-37-35(52)33(50)27(20-54-37)55-23(2)47/h9,21,24-38,44-45,48-53H,8,10-20H2,1-7H3/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=RCUWJJRUBJMDAD-XHIGKZHCSA-N
Formula: C43H70O15
Molecular Weight: 827.00857
Exact Mass: 826.471472
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)
Position | PPM |
---|---|
1 (CH2) | 38 |
2 (CH2) | 27 |
3 (CH) | 88.7 |
4 (C) | 39.6 |
5 (CH) | 53.8 |
6 (CH2) | 30.1 |
7 (CH) | 74.6 |
8 (C) | 58.5 |
9 (CH) | 52.1 |
10 (C) | 37.4 |
11 (CH2) | 22.7 |
12 (CH2) | 27.6 |
13 (CH) | 44.3 |
14 (C) | 49.9 |
15 (CH2) | 36.8 |
16 (CH2) | 25.4 |
17 (CH) | 48.8 |
18 (CH) | 212.2 |
19 (CH3) | 16.4 |
20 (C) | 74.2 |
21 (CH3) | 26.2 |
22 (CH2) | 41.4 |
23 (CH2) | 22.9 |
24 (CH) | 125.6 |
25 (C) | 136.1 |
26 (CH2) | 68.2 |
27 (CH3) | 14 |
28 (CH3) | 27.9 |
29 (CH3) | 16.4 |
30 (CH3) | 16.5 |
1' (CH) | 105.1 |
2' (CH) | 83.3 |
3' (CH) | 78.2 |
4' (CH) | 71.8 |
5' (CH) | 78.3 |
6' (CH2) | 62.9 |
1'' (CH) | 106.5 |
2'' (CH) | 74.2 |
3'' (CH) | 72.2 |
4'' (CH) | 72.4 |
5'' (CH2) | 64.6 |
4''a (C) | 170.8 |
4''b (CH3) | 21.2 |