Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H92O23/c1-49(2,69-9)14-10-15-54(8,77-47-43(68)39(64)37(62)29(74-47)23-71-45-41(66)34(59)26(58)22-70-45)24-11-17-53(7)33(24)25(57)19-31-51(5)16-13-32(50(3,4)30(51)12-18-52(31,53)6)75-48-44(40(65)36(61)28(21-56)73-48)76-46-42(67)38(63)35(60)27(20-55)72-46/h10,14,24-48,55-68H,11-13,15-23H2,1-9H3/b14-10+/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=CCBRDBOHWANETE-YWBWMFLCSA-N
Formula: C54H92O23
Molecular Weight: 1109.296601
Exact Mass: 1108.602939
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, H.P., Qiu, Y.K., Cheng, D.R., Kang, T.G., Dou, D.Q. Magn Reson Chem (2008) 46, 786-90
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) | 39.2 |
2 (CH2) | 26.8 |
3 (CH) | 89 |
4 (C) | 39.7 |
5 (CH) | 56.4 |
6 (CH2) | 18.5 |
7 (CH2) | 35.1 |
8 (C) | 40.1 |
9 (CH) | 50.2 |
10 (C) | 36.9 |
11 (CH2) | 30.6 |
12 (CH) | 70.4 |
13 (CH) | 49.7 |
14 (C) | 51.5 |
15 (CH2) | 30.9 |
16 (CH2) | 26.5 |
17 (CH) | 51.8 |
18 (CH3) | 17.3 |
19 (CH3) | 16.6 |
20 (C) | 83.3 |
21 (CH3) | 23.2 |
22 (CH2) | 39.8 |
23 (CH) | 126.8 |
24 (CH) | 138.6 |
25 (C) | 75.1 |
26 (CH3) | 26.5 |
27 (CH3) | 26.1 |
28 (CH3) | 28.1 |
29 (CH3) | 16.6 |
30 (CH3) | 16 |
1' (CH) | 105.2 |
2' (CH) | 83.5 |
3' (CH) | 78 |
4' (CH) | 71.7 |
5' (CH) | 78.2 |
6' (CH2) | 62.7 |
1'' (CH) | 106.1 |
2'' (CH) | 77.2 |
3'' (CH) | 78.3 |
4'' (CH) | 71.7 |
5'' (CH) | 78.4 |
6'' (CH2) | 62.9 |
1''' (CH) | 98.3 |
2''' (CH) | 75.1 |
3''' (CH) | 79 |
4''' (CH) | 72.1 |
5''' (CH) | 76.7 |
6''' (CH2) | 69.1 |
1'''' (CH) | 104.5 |
2'''' (CH) | 71.7 |
3'''' (CH) | 74.1 |
4'''' (CH) | 68.5 |
5'''' (CH2) | 65.5 |
25a (CH3) | 50.4 |