Spektraris NMR
Comnostin A
Common Name: Comnostin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O4/c1-17-8-12-25(3)21(10-13-27(5)22(25)9-11-24(27,2)16-28)26(17,4)15-19-14-18(23(30)31)6-7-20(19)29/h6-7,14,17,21-22,28-29H,8-13,15-16H2,1-5H3,(H,30,31)/t17-,21+,22+,24+,25+,26-,27-/m1/s1
InChIKey: InChIKey=GADPAHOVYVZUKK-WVSCOBNZSA-N
Formula: C27H40O4
Molecular Weight: 428.605119
Exact Mass: 428.29266
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Jaki, B., Orjala, J., Heilmann, J., Linden, A., Vogler, B., Sticher, O. J Nat Prod (2000) 63, 339-43
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) | 20.6 |
| 2 (CH2) | 34.5 |
| 3 (C) | 56 |
| 4 (C) | 48.2 |
| 5 (CH2) | 35.4 |
| 6 (CH2) | 20.7 |
| 7 (CH) | 52.1 |
| 8 (C) | 37.9 |
| 9 (CH) | 59.3 |
| 10 (CH2) | 40.7 |
| 11 (CH2) | 28 |
| 12 (CH) | 37 |
| 13 (C) | 42 |
| 14 (CH2) | 37.1 |
| 15 (C) | 126.2 |
| 16 (CH) | 135.5 |
| 17 (C) | 122 |
| 18 (CH) | 130.1 |
| 19 (CH) | 115.6 |
| 20 (C) | 161.4 |
| 21 (CH3) | 18.3 |
| 22 (CH3) | 23.5 |
| 23 (CH2) | 69.8 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 17.7 |
| 26 (CH3) | 17.8 |
| 27 (C) | 167.8 |
