Spektraris NMR
Methoxyfaciculatin
Common Name: Methoxyfaciculatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O8/c1-14(24)30-15-9-22(13-29-22)23(8-7-20(31-23)10-16(26-3)27-11-20)21-6-4-5-19(2,17(15)21)18(25)28-12-21/h15-17H,4-13H2,1-3H3/t15-,16-,17+,19+,20-,21-,22-,23+/m1/s1
InChIKey: InChIKey=VBXFGTHKNFHIFR-XXPYTPQDSA-N
Formula: C23H32O8
Molecular Weight: 436.496269
Exact Mass: 436.209718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ohsaki, A., Kishimoto, Y., Isobe, T., Fukuyama, Y. Chem Pharm Bull (2005) 53, 1577-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 33.2 |
| 2 (CH2) | 20.3 |
| 3 (CH2) | 39.6 |
| 4 (C) | 40.9 |
| 5 (CH) | 46.7 |
| 6 (CH) | 67.8 |
| 7 (CH2) | 32.9 |
| 8 (C) | 56.2 |
| 9 (C) | 86 |
| 10 (C) | 41 |
| 11 (CH2) | 23.6 |
| 12 (CH2) | 39.4 |
| 13 (C) | 88.2 |
| 14 (CH2) | 45.6 |
| 15 (CH) | 104.6 |
| 16 (CH2) | 76.7 |
| 17 (CH2) | 47.2 |
| 18 (CH3) | 22.2 |
| 19 (C) | 175.9 |
| 20 (CH2) | 74 |
| 6a (C) | 170.4 |
| 6b (CH3) | 21 |
| 15a (CH3) | 55.1 |
