Spektraris NMR
Scutebarbatines I
Common Name: Scutebarbatines I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H41NO8/c1-5-34-25-14-21-13-23(38-27(21)39-25)28(4)18(2)12-24(37-26(33)20-8-7-11-31-15-20)30(17-35-19(3)32)22(28)9-6-10-29(30)16-36-29/h7-8,11,15,18,21-25,27H,5-6,9-10,12-14,16-17H2,1-4H3/t18-,21+,22-,23+,24+,25-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=QKISVSHUNJJKNY-MSTMNAHCSA-N
Formula: C30H41N1O8
Molecular Weight: 543.64963
Exact Mass: 543.283217
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, S.J., Liang, D.D., Ren, Y., Liu, K., Shen, L. Chem Pharm Bull (2008) 56, 207-9
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) | 25.2 |
| 2 (CH2) | 22.3 |
| 3 (CH2) | 32.4 |
| 4 (C) | 65.2 |
| 5 (C) | 46 |
| 6 (CH) | 72.1 |
| 7 (CH2) | 33.5 |
| 8 (CH) | 36.6 |
| 9 (C) | 40.3 |
| 10 (CH) | 48.5 |
| 11 (CH) | 83.6 |
| 12 (CH2) | 33 |
| 13 (CH) | 40.4 |
| 14 (CH2) | 38.4 |
| 15 (CH) | 103.8 |
| 16 (CH) | 107.4 |
| 17 (CH3) | 16.6 |
| 18 (CH2) | 48.3 |
| 19 (CH2) | 62.5 |
| 20 (CH3) | 14.3 |
| 1' (C) | 165.3 |
| 2' (C) | 127.1 |
| 3' (CH) | 151.6 |
| 5' (CH) | 153.7 |
| 6' (CH) | 123.5 |
| 7' (CH) | 138.2 |
| 15a (CH2) | 63.1 |
| 15b (CH3) | 15.4 |
| 19a (C) | 170.8 |
| 19b (CH3) | 21.5 |
