Spektraris NMR
Scupolin D
Common Name: Scupolin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O10/c1-6-15(2)23(32)37-22-21(31)27(13-28)18(8-7-9-26(27)14-35-26)24(4,25(22,5)33)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=CASHICPLRUEDOE-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) | 22.6 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 31.6 |
| 4 (C) | 67.4 |
| 5 (C) | 47.2 |
| 6 (CH) | 72.1 |
| 7 (CH) | 74.6 |
| 8 (C) | 78.3 |
| 9 (C) | 46.1 |
| 10 (CH) | 41.8 |
| 11 (CH) | 74.9 |
| 12 (CH2) | 33.1 |
| 13 (C) | 167.5 |
| 14 (CH) | 116.9 |
| 15 (C) | 173.6 |
| 16 (CH2) | 73 |
| 17 (CH3) | 22.5 |
| 18 (CH2) | 49.2 |
| 19 (CH2) | 62.3 |
| 20 (CH3) | 15.3 |
| 7a (C) | 175.7 |
| 7b (CH) | 41.5 |
| 7c (CH2) | 26.7 |
| 7d (CH3) | 11.7 |
| 7ba (CH3) | 16.9 |
| 11a (C) | 170.6 |
| 11b (CH3) | 20.7 |
