Common Name: Adenanthin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O8/c1-12-16-8-17(32-13(2)27)22-25(7)18(24(5,6)19(30)10-20(25)33-14(3)28)9-21(34-15(4)29)26(22,11-16)23(12)31/h16-22,30H,1,8-11H2,2-7H3/t16-,17+,18-,19+,20+,21+,22+,25+,26+/m1/s1
InChIKey: InChIKey=QKHLDQYQFFOBAK-VCGKDBAHSA-N
Formula: C26H36O8
Molecular Weight: 476.56024
Exact Mass: 476.241018
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Jiang, B., Yang, H., Li, M.L., Hou, A.J., Han, Q.B., Wang, S.J., Li, S.H., Sun, H.D. J Nat Prod (2002) 65, 1111-6
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH) | 80.5 |
2 (CH2) | 33.6 |
3 (CH) | 75.6 |
4 (C) | 38 |
5 (CH) | 39.5 |
6 (CH2) | 25 |
7 (CH) | 73 |
8 (C) | 51 |
9 (CH) | 56.3 |
10 (C) | 44 |
11 (CH) | 70.2 |
12 (CH2) | 39.3 |
13 (CH) | 37 |
14 (CH2) | 36.3 |
15 (C) | 204.7 |
16 (C) | 151.6 |
17 (CH2) | 112.6 |
18 (CH3) | 29.3 |
19 (CH3) | 22.5 |
20 (CH3) | 15.1 |
1a (C) | 170.7 |
1b (CH3) | 22.2 |
7a (C) | 170.5 |
7b (CH3) | 21.9 |
11a (C) | 169.6 |
11b (CH3) | 21.4 |