Common Name: Ircinianin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O4/c1-15(6-5-7-19-10-11-28-14-19)12-20-13-17(3)21-9-8-16(2)22(21)25(20)23(26)18(4)24(27)29-25/h10-14,16,20-22,26H,5-9H2,1-4H3/b15-12+/t16-,20+,21-,22+,25-/m0/s1
InChIKey: InChIKey=ONJNDTZVKWTRJZ-ZHBDJUTOSA-N
Formula: C25H32O4
Molecular Weight: 396.520121
Exact Mass: 396.23006
NMR Solvent: CD3C≡N
MHz:
Calibration:
NMR references: 13C - Coll, J.C., Kearns, P.S., Rideout, J.A., Hooper, J. J Nat Prod (1997) 60, 1178-9
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Bicarbocyclics; 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 |
---|---|
2 (CH) | 143.8 |
3 (CH) | 112 |
4 (C) | 126.2 |
5 (CH) | 139.9 |
6 (CH2) | 24.8 |
7 (CH2) | 29 |
8 (CH2) | 40.1 |
9 (C) | 136.7 |
10 (CH) | 124.2 |
11 (CH) | 48.2 |
12 (CH) | 123 |
13 (C) | 137.5 |
14 (CH) | 45.7 |
15 (CH2) | 26.8 |
16 (CH2) | 33 |
17 (CH) | 32.7 |
18 (CH) | 50.9 |
19 (C) | 85.1 |
20 (C) | 174.3 |
21 (C) | 98.2 |
22 (C) | 176.2 |
23 (CH3) | 16.3 |
24 (CH3) | 20.5 |
25 (CH3) | 20.5 |
21a (CH3) | 6.4 |