Spektraris NMR
Anthoptilide E
Common Name: Anthoptilide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O8/c1-8-24(30)35-23-10-9-14(2)11-21-19(16(4)26(31)34-21)13-20-15(3)12-22(32-17(5)28)25(27(20,23)7)33-18(6)29/h11-12,20-23,25H,8-10,13H2,1-7H3/b14-11-/t20-,21-,22-,23-,25-,27-/m0/s1
InChIKey: InChIKey=BHWDNTPSMMOPFL-SUXOSFSVSA-N
Formula: C27H36O8
Molecular Weight: 488.570976
Exact Mass: 488.241018
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) | 42.6 |
| 2 (CH) | 73.6 |
| 3 (CH2) | 33.7 |
| 4 (CH2) | 29.5 |
| 5 (C) | 143.8 |
| 6 (CH) | 122.8 |
| 7 (CH) | 80.8 |
| 8 (C) | 159.1 |
| 9 (CH2) | 29.6 |
| 10 (CH) | 37.8 |
| 11 (C) | 139.3 |
| 12 (CH) | 118.3 |
| 13 (CH) | 67.8 |
| 14 (CH) | 72.1 |
| 15 (CH3) | 14.8 |
| 16 (CH3) | 27.7 |
| 17 (C) | 125.1 |
| 18 (CH3) | 9.7 |
| 19 (C) | 173.8 |
| 20 (CH3) | 20.9 |
| 2a (C) | 174.4 |
| 2b (CH2) | 27.6 |
| 2c (CH3) | 8.8 |
| 13a (C) | 170.6 |
| 13b (CH3) | 21.2 |
| 14a (C) | 170.6 |
| 14b (CH3) | 21.1 |
