Spektraris NMR
Melissoidesin I
Common Name: Melissoidesin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O6/c1-11(24)27-15-5-6-20(4)16(19(15,2)3)13(25)9-21-8-12-7-14(17(20)21)28-22(12,10-23)18(21)26/h12-18,23,25-26H,5-10H2,1-4H3/t12-,13+,14?,15+,16-,17+,18+,20-,21+,22+/m1/s1
InChIKey: InChIKey=IZYFVNNZSKOJBA-PDQKYANSSA-N
Formula: C22H34O6
Molecular Weight: 394.502605
Exact Mass: 394.235539
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhao, A.H., Han, Q.B., Li, S.H., Wang, F.S., Zhao, Q.S., Sun, H.D. Chem Pharm Bull (2003) 51, 845-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 37.4 |
| 2 (CH2) | 23.1 |
| 3 (CH) | 79.4 |
| 4 (C) | 36.7 |
| 5 (CH) | 51.3 |
| 6 (CH) | 66.5 |
| 7 (CH2) | 43.8 |
| 8 (C) | 44.6 |
| 9 (CH) | 52.7 |
| 10 (C) | 37.6 |
| 11 (CH) | 76.7 |
| 12 (CH2) | 39.4 |
| 13 (CH) | 39.7 |
| 14 (CH2) | 40.1 |
| 15 (CH) | 79.3 |
| 16 (C) | 87.2 |
| 17 (CH2) | 63 |
| 18 (CH3) | 29.2 |
| 19 (CH3) | 24.1 |
| 20 (CH3) | 21.1 |
| 3a (C) | 170.4 |
| 3b (CH3) | 21.5 |
