Spektraris NMR
Phorbasin I
Common Name: Phorbasin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-15(2)7-5-8-16(3)9-6-10-17(4)18-11-13-19(14-12-18)20(21)22/h6,8-10,15,18-19H,5,7,11-14H2,1-4H3,(H,21,22)/b9-6+,16-8+,17-10+/t18-,19-
InChIKey: InChIKey=YFJCFMFCDTWZAZ-TZHXPAETSA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Lee, H.S., Park, S.Y., Sim, C.J., Rho, J.R. Chem Pharm Bull (2008) 56, 1198-200
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Prenylbisabolanes; 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) | 31.9 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 44.5 |
| 4 (CH2) | 30.5 |
| 5 (CH2) | 31.9 |
| 6 (CH) | 48.2 |
| 7 (C) | 142.6 |
| 8 (CH) | 125.3 |
| 9 (CH) | 123.8 |
| 10 (CH) | 137.2 |
| 11 (C) | 135.3 |
| 12 (CH) | 133.3 |
| 13 (CH2) | 27.2 |
| 14 (CH2) | 40 |
| 15 (CH) | 28.9 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 22.9 |
| 18 (CH3) | 12.5 |
| 19 (CH3) | 15.1 |
| 20 (C) | 180.2 |
