Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H56O11/c1-17-23-26(47-37(43)28(17)48-32(5,6)30(37)42)27(41)34(8)21-10-9-20-31(3,4)22(11-12-35(20)16-36(21,35)14-13-33(23,34)7)46-29-25(40)24(39)19(15-44-29)45-18(2)38/h17,19-26,28-30,39-40,42-43H,9-16H2,1-8H3/t17-,19+,20-,21-,22-,23-,24-,25+,26+,28+,29-,30+,33+,34+,35+,36-,37-/m0/s1
InChIKey: InChIKey=KCRZFTJHLOIQBI-PYWYSFOMSA-N
Formula: C37H56O11
Molecular Weight: 676.835365
Exact Mass: 676.382263
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, L., Yang, J.S., Zoua, J.H., Tu, G.Z. Chem Pharm Bull (2004) 52, 622-4
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.1 |
2 (CH2) | 30 |
3 (CH) | 88.4 |
4 (C) | 41.3 |
5 (CH) | 47.5 |
6 (CH2) | 20.9 |
7 (CH2) | 26.2 |
8 (CH) | 47.5 |
9 (C) | 20 |
10 (C) | 26.5 |
11 (CH2) | 26.3 |
12 (CH2) | 33.4 |
13 (C) | 46.8 |
14 (C) | 45.2 |
15 (C) | 43.3 |
16 (CH) | 72.4 |
17 (CH) | 52.3 |
18 (CH3) | 20.6 |
19 (CH2) | 30.1 |
20 (CH) | 34.7 |
21 (CH3) | 17.5 |
22 (CH) | 86.9 |
23 (C) | 106 |
24 (CH) | 83.3 |
25 (C) | 83.6 |
26 (CH3) | 27.7 |
27 (CH3) | 24.8 |
28 (CH3) | 25.7 |
29 (CH3) | 15.3 |
30 (CH3) | 19.6 |
1' (CH) | 107.3 |
2' (CH) | 75.7 |
3' (CH) | 75 |
4' (CH) | 73.2 |
5' (CH2) | 63.2 |
4'a (C) | 170.6 |
4'b (CH3) | 20.9 |