Spektraris NMR
Noscomin
Common Name: Noscomin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H38O4/c1-16-6-8-19-20(9-11-22-25(2,3)23(29)12-13-26(19,22)4)27(16,5)15-18-14-17(24(30)31)7-10-21(18)28/h7-8,10,14,16,20,22-23,28-29H,6,9,11-13,15H2,1-5H3,(H,30,31)/t16-,20-,22-,23-,26+,27-/m1/s1
InChIKey: InChIKey=HWGPBUBDNCZOBN-FVBFRTCBSA-N
Formula: C27H38O4
Molecular Weight: 426.589238
Exact Mass: 426.27701
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jaki, B., Orjala, J., Sticher, O. J Nat Prod (1999) 62, 502-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Miscellanea; 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) | 40.8 |
| 2 (CH2) | 20.8 |
| 3 (CH) | 79.8 |
| 4 (C) | 40.2 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 28.9 |
| 7 (CH2) | 20.4 |
| 8 (CH) | 39.8 |
| 9 (C) | 152.1 |
| 10 (C) | 39.2 |
| 11 (CH) | 116.4 |
| 12 (CH2) | 31.6 |
| 13 (CH) | 34.5 |
| 14 (C) | 39.3 |
| 15 (CH2) | 35.2 |
| 16 (C) | 127.8 |
| 17 (CH) | 135.3 |
| 18 (C) | 126.9 |
| 19 (CH) | 130.1 |
| 20 (CH) | 115.3 |
| 21 (C) | 161.1 |
| 22 (CH3) | 28.2 |
| 23 (CH3) | 15.9 |
| 24 (CH3) | 25.9 |
| 25 (CH3) | 19.5 |
| 26 (CH3) | 15.8 |
| 27 (C) | 172 |
