Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H78O17/c1-21(2)17-23-18-47(57,42(56)60-23)25-11-15-45(7)24(25)9-10-29-44(6)14-13-30(43(4,5)28(44)12-16-46(29,45)8)62-41-38(64-40-36(55)34(53)31(50)22(3)59-40)37(33(52)27(19-48)61-41)63-39-35(54)32(51)26(49)20-58-39/h17,22-42,48-57H,9-16,18-20H2,1-8H3/t22-,23+,24+,25-,26+,27+,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-,38+,39-,40-,41-,42?,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=JXDKYHIFOFLIPS-IUGGMNRMSA-N
Formula: C47H78O17
Molecular Weight: 915.11385
Exact Mass: 914.523901
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)
Position | PPM |
---|---|
1 (CH2) | 40 |
2 (CH2) | 27.3 |
3 (CH) | 89.1 |
4 (C) | 39.9 |
5 (CH) | 56.8 |
6 (CH2) | 18.7 |
7 (CH2) | 36 |
8 (C) | 40.9 |
9 (CH) | 51.2 |
10 (C) | 37.2 |
11 (CH2) | 21.9 |
12 (CH2) | 25.2 |
13 (CH) | 41.6 |
14 (C) | 50.4 |
15 (CH2) | 31.9 |
16 (CH2) | 27.2 |
17 (CH) | 45.3 |
18 (CH3) | 17.1 |
19 (CH3) | 16.7 |
20 (C) | 84.9 |
21 (CH) | 103 |
22 (CH2) | 45.3 |
23 (CH) | 73.6 |
24 (CH) | 130.3 |
25 (C) | 132.4 |
26 (CH3) | 18.1 |
27 (CH3) | 25.8 |
28 (CH3) | 28.1 |
29 (CH3) | 16.9 |
30 (CH3) | 16.1 |
1' (CH) | 105.1 |
2' (CH) | 77.1 |
3' (CH) | 88.4 |
4' (CH) | 69.9 |
5' (CH) | 78.1 |
6' (CH2) | 62.7 |
1'' (CH) | 101.9 |
2'' (CH) | 72.7 |
3'' (CH) | 72.5 |
4'' (CH) | 74 |
5'' (CH) | 69.9 |
6'' (CH3) | 18.8 |
1''' (CH) | 105 |
2''' (CH) | 75 |
3''' (CH) | 78.4 |
4''' (CH) | 70.8 |
5''' (CH2) | 67.4 |