Spektraris NMR
3b-Benzoyloxy-10-deoxyfloridanolide
Common Name: 3b-Benzoyloxy-10-deoxyfloridanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-12-9-14(29-17(25)13-7-5-4-6-8-13)22(28)19(2,11-23)20(3,27)15-10-21(12,22)16(24)18(26)30-15/h4-8,12,14-16,23-24,27-28H,9-11H2,1-3H3/t12-,14+,15-,16+,19-,20+,21+,22+/m1/s1
InChIKey: InChIKey=VBPVVQRFWXEQEN-QZYSJJTISA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Tang, W.Z., Liu, Y.B., Yu, S.S., Qu, J., Su, D.M. Planta Med (2007) 73, 484-90
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Prezizaanes; 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 (CH) | 40.2 |
| 2 (CH2) | 41.7 |
| 3 (CH) | 79.1 |
| 4 (C) | 82.1 |
| 5 (C) | 50.3 |
| 6 (C) | 78.2 |
| 7 (CH) | 81.3 |
| 8 (CH2) | 29.2 |
| 9 (C) | 45.8 |
| 10 (CH) | 35.7 |
| 11 (C) | 170.4 |
| 12 (CH3) | 23.8 |
| 13 (CH3) | 14.8 |
| 14 (CH2) | 62.9 |
| 15 (CH3) | 14.8 |
| 3a (C) | 165.7 |
| 3b (C) | 130.8 |
| 3c (CH) | 130 |
| 3d (CH) | 129.6 |
| 3e (CH) | 134.1 |
| 3f (CH) | 129.6 |
| 3g (CH) | 130 |
