Spektraris NMR
Scupolin E
Common Name: Scupolin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O10/c1-6-15(2)23(32)37-22-21(31)25(5,33)24(4,18-8-7-9-26(14-35-26)27(18,22)13-28)19(36-16(3)29)10-17-11-20(30)34-12-17/h11,15,18-19,21-22,28,31,33H,6-10,12-14H2,1-5H3/t15?,18-,19+,21+,22+,24+,25+,26+,27+/m1/s1
InChIKey: InChIKey=MRDDGKKTFVCTJI-LVYFPGLHSA-N
Formula: C27H40O10
Molecular Weight: 524.601549
Exact Mass: 524.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de la Torre, M.C., Rodriguez, B., Bruno, M., Vassallo, N., Bondi, M.L., Piozzi, F., Servettaz, O. J Nat Prod (1997) 60, 1229-35
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 23 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 32.4 |
| 4 (C) | 65.3 |
| 5 (C) | 46.8 |
| 6 (CH) | 74.2 |
| 7 (CH) | 73.5 |
| 8 (C) | 78.6 |
| 9 (C) | 46.2 |
| 10 (CH) | 42.6 |
| 11 (CH) | 74.9 |
| 12 (CH2) | 33 |
| 13 (C) | 167.6 |
| 14 (CH) | 116.6 |
| 15 (C) | 173.8 |
| 16 (CH2) | 73.1 |
| 17 (CH3) | 22 |
| 18 (CH2) | 48 |
| 19 (CH2) | 62.6 |
| 20 (CH3) | 15.7 |
| 6a (C) | 176.9 |
| 6b (CH) | 41.6 |
| 6c (CH2) | 26.4 |
| 6d (CH3) | 11.5 |
| 6ba (CH3) | 16.7 |
| 11a (C) | 170.6 |
| 11b (CH3) | 20.7 |
