Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H42O8/c1-8-17(2)29(36)40-28-20-13-19-21(32(6,26(20)35)23(30(28,3)4)15-24(33)37-7)9-11-31(5)22(19)14-25(34)39-27(31)18-10-12-38-16-18/h10,12-13,16-17,20-23,27-28H,8-9,11,14-15H2,1-7H3/t17-,20+,21+,22?,23+,27+,28-,31-,32-/m1/s1
InChIKey: InChIKey=VJNCOPXREONOMO-VTKADTCXSA-N
Formula: C32H42O8
Molecular Weight: 554.6723
Exact Mass: 554.287968
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gan, L.S., Wang, X.N., Wu, Y., Yue, J.M. J Nat Prod (2007) 70, 1344-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 217.1 |
2 (CH) | 48.8 |
3 (CH) | 76.9 |
4 (C) | 38.5 |
5 (CH) | 41.4 |
6 (CH2) | 32.9 |
7 (C) | 174 |
8 (C) | 138.4 |
9 (CH) | 56.7 |
10 (C) | 49.9 |
11 (CH2) | 20.6 |
12 (CH2) | 34.4 |
13 (C) | 36.9 |
14 (CH) | 45.2 |
15 (CH2) | 29.7 |
16 (C) | 169.3 |
17 (CH) | 76.9 |
18 (CH3) | 21.8 |
19 (CH3) | 15.7 |
20 (C) | 120.7 |
21 (CH) | 141.9 |
22 (CH) | 109.7 |
23 (CH) | 142.9 |
28 (CH3) | 22.5 |
29 (CH3) | 20.6 |
30 (CH) | 122.8 |
3a (C) | 176.1 |
3b (CH) | 40.4 |
3c (CH2) | 26.5 |
3d (CH3) | 15.8 |
3e (CH3) | 11.3 |
7a (CH3) | 52.1 |