Common Name: (2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-alpha,alpha,alpha',alpha',2,2''',2'''',5'-Octamethylicosahydro[2,2':5',2'':5'',2''':5''',2''''-quinquefuran]-5,5''''-dimethanol
Synonyms: (2R,2'S,2''S,2'''S,2''''S,5S,5'R,5''R,5'''R,5''''R)-alpha,alpha,alpha',alpha',2,2''',2'''',5'-Octamethylicosahydro[2,2':5',2'':5'',2''':5''',2''''-quinquefuran]-5,5''''-dimethanol
CAS Registry Number:
InChI: InChI=1S/C30H52O7/c1-25(2,31)19-11-15-29(7,34-19)23-13-17-27(5,36-23)21-9-10-22(33-21)28(6)18-14-24(37-28)30(8)16-12-20(35-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24+,27+,28-,29+,30-
InChIKey: InChIKey=DWONOXFOBHHPGV-DODKLLAZSA-N
Formula: C30H52O7
Molecular Weight: 524.730831
Exact Mass: 524.371304
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Matsuo, Y., Suzuki, M., Masuda, M., Iwai, T., Morimoto, Y. Helv Chim Acta (2008) 91, 1261-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Squalenes; 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 (CH3) | 25.29 |
2 (C) | 71.67 |
3 (CH) | 85.68 |
4 (CH2) | 26.56 |
5 (CH2) | 31 |
6 (C) | 85.61 |
7 (CH) | 84.24 |
8 (CH2) | 29.08 |
9 (CH2) | 34.64 |
10 (C) | 83.98 |
11 (CH) | 84.6 |
12 (CH2) | 27.09 |
13 (CH2) | 27.09 |
14 (CH) | 84.6 |
15 (C) | 83.98 |
16 (CH2) | 34.64 |
17 (CH2) | 29.08 |
18 (CH) | 84.24 |
19 (C) | 85.61 |
20 (CH2) | 31 |
21 (CH2) | 26.56 |
22 (CH) | 85.68 |
23 (C) | 71.67 |
24 (CH3) | 28.09 |
25 (CH3) | 28.09 |
26 (CH3) | 25.02 |
27 (CH3) | 22.57 |
28 (CH3) | 22.57 |
29 (CH3) | 25.02 |
30 (CH3) | 25.29 |