Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H88O22/c1-22(2)15-23-17-53(8,75-47-43(66)39(62)37(60)29(72-47)21-68-45-41(64)34(57)25(56)20-67-45)24-9-13-52(7)33(24)26(69-23)16-31-50(5)12-11-32(49(3,4)30(50)10-14-51(31,52)6)73-48-44(40(63)36(59)28(19-55)71-48)74-46-42(65)38(61)35(58)27(18-54)70-46/h15,23-48,54-66H,9-14,16-21H2,1-8H3/t23?,24?,25-,26-,27-,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44-,45+,46+,47+,48+,50+,51-,52-,53+/m1/s1
InChIKey: InChIKey=KJJBOCATJWJJRQ-BMJMJVRQSA-N
Formula: C53H88O22
Molecular Weight: 1077.254697
Exact Mass: 1076.576725
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) | 39.4 |
2 (CH2) | 26.8 |
3 (CH) | 88.9 |
4 (C) | 39.7 |
5 (CH) | 56.4 |
6 (CH2) | 18.4 |
7 (CH2) | 35.2 |
8 (C) | 39.8 |
9 (CH) | 50.6 |
10 (C) | 37.1 |
11 (CH2) | 30.1 |
12 (CH) | 79.7 |
13 (CH) | 49.8 |
14 (C) | 51.3 |
15 (CH2) | 32.6 |
16 (CH2) | 25.6 |
17 (CH) | 46.6 |
18 (CH3) | 16.6 |
19 (CH3) | 16.5 |
20 (C) | 82 |
21 (CH3) | 24.6 |
22 (CH2) | 52.1 |
23 (CH) | 72.6 |
24 (CH) | 129.3 |
25 (C) | 131.4 |
26 (CH3) | 25.7 |
27 (CH3) | 18.9 |
28 (CH3) | 28.1 |
29 (CH3) | 17 |
30 (CH3) | 15.6 |
1' (CH) | 105.1 |
2' (CH) | 83.5 |
3' (CH) | 78.3 |
4' (CH) | 71.8 |
5' (CH) | 78 |
6' (CH2) | 62.9 |
1'' (CH) | 106.1 |
2'' (CH) | 77.2 |
3'' (CH) | 78.4 |
4'' (CH) | 71.8 |
5'' (CH) | 78.1 |
6'' (CH2) | 62.7 |
1''' (CH) | 99.3 |
2''' (CH) | 75.3 |
3''' (CH) | 78.9 |
4''' (CH) | 71.7 |
5''' (CH) | 76.9 |
6''' (CH2) | 70.8 |
1'''' (CH) | 106.4 |
2'''' (CH) | 74.9 |
3'''' (CH) | 78 |
4'''' (CH) | 71.2 |
5'''' (CH2) | 67.2 |