Common Name: Spirowallichiione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-24(2)11-12-26(5)13-14-29(8)23(33)30(16-15-27(29,6)20(26)18-24)22(32)17-19-25(3,4)21(31)9-10-28(19,30)7/h19-22,31-32H,9-18H2,1-8H3/t19-,20+,21-,22-,26+,27-,28-,29+,30?/m0/s1
InChIKey: InChIKey=RCCNFZVGQUAHMO-VORBLJTFSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ali, M.S., Ahmed, S., Saleem, M. Molecules (2008) 13, 405-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Multifloranes; 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) | 34.3 |
2 (CH2) | 28.4 |
3 (CH) | 79.3 |
4 (C) | 37.9 |
5 (CH) | 47.9 |
6 (CH2) | 21.8 |
7 (CH) | 77.9 |
8 (C) | 220.1 |
9 (C) | 60 |
10 (C) | 49.7 |
11 (CH2) | 30 |
12 (CH2) | 31.4 |
13 (C) | 38.7 |
14 (C) | 54.4 |
15 (CH2) | 25.5 |
16 (CH2) | 35.9 |
17 (C) | 30.6 |
18 (CH) | 43.7 |
19 (CH2) | 34.9 |
20 (C) | 28.2 |
21 (CH2) | 33.9 |
22 (CH2) | 36.4 |
23 (CH3) | 29.8 |
24 (CH3) | 16.7 |
25 (CH3) | 17.4 |
26 (CH3) | 22.4 |
27 (CH3) | 21.8 |
28 (CH3) | 31.5 |
29 (CH3) | 34.4 |
30 (CH3) | 32.9 |