Spektraris NMR
4-epi-Scopadulcic acid B
Common Name: 4-epi-Scopadulcic acid B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O5/c1-24-12-13-27(16-24)18(15-20(24)28)14-19(32-22(29)17-8-5-4-6-9-17)21-25(2,23(30)31)10-7-11-26(21,27)3/h4-6,8-9,18-19,21H,7,10-16H2,1-3H3,(H,30,31)/t18?,19-,21+,24+,25+,26+,27+/m1/s1
InChIKey: InChIKey=DQBAMWXMUCSBLO-UFQRNNMESA-N
Formula: C27H34O5
Molecular Weight: 438.556879
Exact Mass: 438.240624
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ahsan, M., Islam, S.K., Gray, A.I., Stimson, W.H. J Nat Prod (2003) 66, 958-61
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) | 34.5 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 38.9 |
| 4 (C) | 42.5 |
| 5 (CH) | 52.4 |
| 6 (CH) | 69.1 |
| 7 (CH2) | 34.9 |
| 8 (CH) | 35.9 |
| 9 (C) | 52.9 |
| 10 (C) | 39.5 |
| 11 (CH2) | 45.5 |
| 12 (C) | 52.5 |
| 13 (C) | 213.4 |
| 14 (CH2) | 42.6 |
| 15 (CH2) | 36.8 |
| 16 (CH2) | 23.6 |
| 17 (CH3) | 19.9 |
| 18 (CH3) | 29.6 |
| 19 (C) | 181.8 |
| 20 (CH3) | 20.5 |
| 6a (C) | 166 |
| 6b (C) | 130.6 |
| 6c (CH) | 129.8 |
| 6d (CH) | 128.7 |
| 6e (CH) | 133.1 |
| 6f (CH) | 128.7 |
| 6g (CH) | 129.8 |
