Spektraris NMR
Anthoptilide C
Common Name: Anthoptilide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O7/c1-7-22(28)32-21-9-8-13(2)10-20-17(15(4)24(29)31-20)12-18-14(3)11-19(27)23(25(18,21)6)30-16(5)26/h10-11,18,20-21,23H,7-9,12H2,1-6H3/b13-10-/t18-,20-,21-,23-,25-/m0/s1
InChIKey: InChIKey=SOZYLLOAOCBQFQ-RDGZBFETSA-N
Formula: C25H32O7
Molecular Weight: 444.518336
Exact Mass: 444.214803
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pham, N.B., Butler, M.S., Healy, P.C., Quinn, R.J. J Nat Prod (2000) 63, 318-21
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Briaranes; 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 (C) | 44.1 |
| 2 (CH) | 72.4 |
| 3 (CH2) | 33.3 |
| 4 (CH2) | 29.4 |
| 5 (C) | 144.4 |
| 6 (CH) | 122.6 |
| 7 (CH) | 80.7 |
| 8 (C) | 158 |
| 9 (CH2) | 29.4 |
| 10 (CH) | 39.3 |
| 11 (C) | 161.3 |
| 12 (CH) | 123.7 |
| 13 (C) | 193.3 |
| 14 (CH) | 76.2 |
| 15 (CH3) | 13.1 |
| 16 (CH3) | 27.6 |
| 17 (C) | 125.6 |
| 18 (CH3) | 9.8 |
| 19 (C) | 173.5 |
| 20 (CH3) | 20.8 |
| 2a (C) | 174 |
| 2b (CH2) | 27.6 |
| 2c (CH3) | 8.8 |
| 14a (C) | 169.2 |
| 14b (CH3) | 20.8 |
