Spirowallichiione

Spirowallichiione

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)

Carbon NMR Peaks

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