Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H72O15/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)21-45)57-38-36(58-37-35(52)32(49)26(47)19-55-37)34(51)33(50)27(56-38)20-54-23(2)46/h9,24-38,44-45,47-53H,8,10-21H2,1-7H3/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=UQCKNNSULHNUCP-MHFKXBNTSA-N
Formula: C43H72O15
Molecular Weight: 829.024452
Exact Mass: 828.487122
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) | 39.5 |
2 (CH2) | 26.9 |
3 (CH) | 88.7 |
4 (C) | 39.7 |
5 (CH) | 54.7 |
6 (CH2) | 30.1 |
7 (CH) | 78 |
8 (C) | 49.3 |
9 (CH) | 52.1 |
10 (C) | 37.5 |
11 (CH2) | 22.9 |
12 (CH2) | 28.2 |
13 (CH) | 44.5 |
14 (C) | 50.3 |
15 (CH2) | 36.5 |
16 (CH2) | 25.7 |
17 (CH) | 49.4 |
18 (CH2) | 61.6 |
19 (CH3) | 16.8 |
20 (C) | 74.3 |
21 (CH3) | 26.3 |
22 (CH2) | 41.4 |
23 (CH2) | 22.9 |
24 (CH) | 125.6 |
25 (C) | 136 |
26 (CH2) | 68.1 |
27 (CH3) | 13.9 |
28 (CH3) | 28.2 |
29 (CH3) | 16.8 |
30 (CH3) | 16.8 |
1' (CH) | 104.7 |
2' (CH) | 81.6 |
3' (CH) | 78 |
4' (CH) | 73.4 |
5' (CH) | 73.5 |
6' (CH2) | 64.3 |
1'' (CH) | 106.5 |
2'' (CH) | 73.7 |
3'' (CH) | 74.7 |
4'' (CH) | 69.8 |
5'' (CH2) | 64.8 |
6'a (C) | 170.6 |
6'b (CH3) | 20.8 |