Spektraris NMR
Anthoptilide D
Common Name: Anthoptilide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H32O7/c1-16-11-12-25(36-28(33)20-9-7-6-8-10-20)29(5)22(15-21-18(3)27(32)35-24(21)13-16)17(2)14-23(31)26(29)34-19(4)30/h6-10,13-14,22,24-26H,11-12,15H2,1-5H3/b16-13-/t22-,24-,25-,26-,29-/m0/s1
InChIKey: InChIKey=IQXHMLGCACSFNA-NJNQFIBWSA-N
Formula: C29H32O7
Molecular Weight: 492.56128
Exact Mass: 492.214803
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) | 44.4 |
| 2 (CH) | 74.4 |
| 3 (CH2) | 33 |
| 4 (CH2) | 29.3 |
| 5 (C) | 144.1 |
| 6 (CH) | 122.8 |
| 7 (CH) | 80.7 |
| 8 (C) | 158 |
| 9 (CH2) | 29.3 |
| 10 (CH) | 39.3 |
| 11 (C) | 161 |
| 12 (CH) | 123.5 |
| 13 (C) | 193.3 |
| 14 (CH) | 77.2 |
| 15 (CH3) | 14.1 |
| 16 (CH3) | 27.4 |
| 17 (C) | 125.7 |
| 18 (CH3) | 9.8 |
| 19 (C) | 173.5 |
| 20 (CH3) | 22.1 |
| 2a (C) | 165.8 |
| 2b (C) | 129.5 |
| 2c (CH) | 129.5 |
| 2d (CH) | 128.6 |
| 2e (CH) | 133.4 |
| 2f (CH) | 128.6 |
| 2g (CH) | 129.5 |
| 14a (C) | 169 |
| 14b (CH3) | 20.7 |
