Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O14/c1-36(2)13-14-41-20-53-42(25(41)15-36)12-8-24-37(3)10-9-27(38(4,19-44)23(37)7-11-39(24,5)40(42,6)16-26(41)45)56-35-33(51)31(49)29(47)22(55-35)18-52-34-32(50)30(48)28(46)21(17-43)54-34/h8,12,21-35,43-51H,7,9-11,13-20H2,1-6H3/t21-,22-,23-,24-,25-,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,37+,38+,39-,40+,41-,42+/m1/s1
InChIKey: InChIKey=ACWRMVMYIHRKJI-OOLJTFBTSA-N
Formula: C42H68O14
Molecular Weight: 796.982548
Exact Mass: 796.460907
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mori, F., Miyase, T., Ueno, A. Phytochemistry (1994) 36, 1485-8
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) | 38.6 |
2 (CH2) | 26 |
3 (CH) | 82.3 |
4 (C) | 43.7 |
5 (CH) | 47.5 |
6 (CH2) | 17.7 |
7 (CH2) | 31.6 |
8 (C) | 42.2 |
9 (CH) | 53.1 |
10 (C) | 36.3 |
11 (CH) | 132.3 |
12 (CH) | 131 |
13 (C) | 84 |
14 (C) | 49.7 |
15 (CH2) | 36.2 |
16 (CH) | 64.1 |
17 (C) | 47 |
18 (CH) | 52.2 |
19 (CH2) | 37.8 |
20 (C) | 31.6 |
21 (CH2) | 34.8 |
22 (CH2) | 25.8 |
23 (CH2) | 64.6 |
24 (CH3) | 13.1 |
25 (CH3) | 18.8 |
26 (CH3) | 20.1 |
27 (CH3) | 20.9 |
28 (CH2) | 73 |
29 (CH3) | 33.7 |
30 (CH3) | 23.9 |
1' (CH) | 105.5 |
2' (CH) | 75.2 |
3' (CH) | 78.5 |
4' (CH) | 71.7 |
5' (CH) | 77 |
6' (CH2) | 70.3 |
1'' (CH) | 106.1 |
2'' (CH) | 75.7 |
3'' (CH) | 78.5 |
4'' (CH) | 71.8 |
5'' (CH) | 78.5 |
6'' (CH2) | 62.8 |