Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H64O17/c1-37-13-14-41(5)18(19(37)15-39(3,36(54)55)22(44)16-37)7-8-21-38(2)11-10-23(40(4,17-43)20(38)9-12-42(21,41)6)56-35-31(27(48)26(47)30(58-35)33(52)53)59-34-28(49)24(45)25(46)29(57-34)32(50)51/h7,19-31,34-35,43-49H,8-17H2,1-6H3,(H,50,51)(H,52,53)(H,54,55)/t19-,20+,21+,22+,23-,24-,25-,26-,27+,28+,29-,30-,31+,34-,35+,37-,38-,39-,40+,41+,42+/m0/s1
InChIKey: InChIKey=UICKYSVCOIQHBZ-CVYWWZAKSA-N
Formula: C42H64O17
Molecular Weight: 840.949
Exact Mass: 840.414351
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ohtani, K., Kasai, R., Yang, C.R., Yamasaki, K., Zhou, J., Tanaka, O. Phytochemistry (1994) 36, 139-45
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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 (CH2) | 26.4 |
3 (CH) | 90.5 |
4 (C) | 44.4 |
5 (CH) | 56.6 |
6 (CH2) | 19.3 |
7 (CH2) | 33.3 |
8 (C) | 40 |
9 (CH) | 48 |
10 (C) | 36.8 |
11 (CH2) | 24.1 |
12 (CH) | 123.5 |
13 (C) | 144.9 |
14 (C) | 42.4 |
15 (CH2) | 26 |
16 (CH2) | 30.8 |
17 (C) | 33.2 |
18 (CH) | 46.7 |
19 (CH2) | 36.3 |
20 (C) | 48.8 |
21 (CH) | 72.7 |
22 (CH2) | 43.8 |
23 (CH3) | 23.2 |
24 (CH2) | 63.5 |
25 (CH3) | 15.6 |
26 (CH3) | 17 |
27 (CH3) | 25.5 |
28 (CH3) | 28.8 |
29 (C) | 179.9 |
30 (CH3) | 20.9 |
1' (CH) | 104.6 |
2' (CH) | 82.1 |
3' (CH) | 77.4 |
4' (CH) | 72.3 |
5' (CH) | 76.9 |
6' (C) | 170.3 |
1'' (CH) | 105.7 |
2'' (CH) | 75.6 |
3'' (CH) | 77.9 |
4'' (CH) | 72.7 |
5'' (CH) | 77.7 |
6'' (C) | 170 |