Spektraris NMR
Henridilactone B
Common Name: Henridilactone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O11/c1-12-17-19(36-20(12)32)28(35)21-24(4,22(33)25(28,5)34)8-9-26-11-27-14(23(2,3)37-15(27)10-16(30)38-27)7-6-13(26)18(31)29(21,39-17)40-26/h6,12,14-15,17,19,21,34-35H,7-11H2,1-5H3/t12-,14-,15+,17+,19-,21+,24-,25-,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=IYDZDFROMNTTBD-DXFCPFHCSA-N
Formula: C29H34O11
Molecular Weight: 558.574781
Exact Mass: 558.210112
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Li, R., Shen, Y., Xiang, W., Sun, H. Eur J Org Chem (2004) 0, 807-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Schiartanes; 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) | 80.3 |
| 2 (CH2) | 35.3 |
| 3 (C) | 175 |
| 4 (C) | 83.2 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 23.8 |
| 7 (CH) | 136.5 |
| 8 (C) | 137.2 |
| 9 (C) | 83 |
| 10 (C) | 94.7 |
| 11 (CH2) | 39.6 |
| 12 (CH2) | 33.2 |
| 13 (C) | 49.6 |
| 14 (C) | 197.3 |
| 15 (C) | 100.3 |
| 16 (CH) | 55.4 |
| 17 (C) | 220.5 |
| 18 (CH3) | 31.6 |
| 19 (CH2) | 42.5 |
| 20 (C) | 80.1 |
| 21 (CH3) | 18.9 |
| 22 (C) | 75.6 |
| 23 (CH) | 76.6 |
| 24 (CH) | 74.4 |
| 25 (CH) | 42.9 |
| 26 (C) | 177.9 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 27.5 |
