Common Name: Dubione B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18(2)23-10-8-19(26(32)33-23)20-12-16-30(7)22-9-11-24-27(3,4)25(31)14-15-28(24,5)21(22)13-17-29(20,30)6/h19-24H,1,8-17H2,2-7H3/t19-,20+,21+,22-,23+,24+,28-,29+,30-/m1/s1
InChIKey: InChIKey=XYOBMERFBBFPAO-YFZIJMJWSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Numata, A., Iwamoto, C., Morito, H., Yamada, T., Goswami, A., Clewlow, P.J., Cragg, G.M., Schmidt, J.M. J Nat Prod (2002) 65, 1886-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 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) | 38.5 |
2 (CH2) | 34.9 |
3 (C) | 216.7 |
4 (C) | 47.9 |
5 (CH) | 52.4 |
6 (CH2) | 24.4 |
7 (CH2) | 118.7 |
8 (CH) | 144.5 |
9 (CH) | 48.1 |
10 (C) | 35.1 |
11 (CH2) | 18.2 |
12 (CH2) | 33.5 |
13 (C) | 45.9 |
14 (C) | 49.9 |
15 (CH2) | 43.9 |
16 (CH2) | 77.6 |
17 (CH) | 58.2 |
18 (CH3) | 23.2 |
19 (CH3) | 12.8 |
20 (CH) | 41.9 |
21 (C) | 178.1 |
22 (CH2) | 22.9 |
23 (CH2) | 26.1 |
24 (CH) | 80 |
25 (C) | 141.6 |
26 (CH2) | 113.6 |
27 (CH3) | 18.1 |
28 (CH3) | 24.5 |
29 (CH3) | 21.6 |
30 (CH3) | 27.4 |