Spektraris NMR
Anthoptilide A
Common Name: Anthoptilide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O7/c1-8-15(3)25(30)34-23-10-9-14(2)11-22-19(17(5)26(31)33-22)13-20-16(4)12-21(29)24(27(20,23)7)32-18(6)28/h8,11-12,20,22-24H,9-10,13H2,1-7H3/b14-11-,15-8+/t20-,22-,23-,24-,27-/m0/s1
InChIKey: InChIKey=LGEAXFGKCGRSHE-UMTHCWQVSA-N
Formula: C27H34O7
Molecular Weight: 470.555689
Exact Mass: 470.230453
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) | 44.3 |
| 2 (CH) | 74.5 |
| 3 (CH2) | 33.5 |
| 4 (CH2) | 29.3 |
| 5 (C) | 144.3 |
| 6 (CH) | 122.7 |
| 7 (CH) | 80.7 |
| 8 (C) | 158.1 |
| 9 (CH2) | 29.3 |
| 10 (CH) | 39.2 |
| 11 (C) | 161.2 |
| 12 (CH) | 123.5 |
| 13 (C) | 193.2 |
| 14 (CH) | 77.3 |
| 15 (CH3) | 13.7 |
| 16 (CH3) | 26.9 |
| 17 (C) | 125.6 |
| 18 (CH3) | 9.8 |
| 19 (C) | 173.6 |
| 20 (CH3) | 22.1 |
| 2a (C) | 167.1 |
| 2b (C) | 128.2 |
| 2c (CH) | 138.3 |
| 2d (CH3) | 14.6 |
| 2ba (CH3) | 12.3 |
| 14a (C) | 169 |
| 14b (CH3) | 20.8 |
