Spektraris NMR
Henridilactone C
Common Name: Henridilactone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O9/c1-12-18-20-19(13(2)24(33)34-20)37-29-21(18)26(5,22(12)31)8-9-27(38-29)11-28-15(7-6-14(27)23(29)32)25(3,4)35-16(28)10-17(30)36-28/h6,12-13,15-16,18-21H,7-11H2,1-5H3/t12-,13+,15+,16-,18-,19-,20-,21+,26+,27+,28-,29+/m0/s1
InChIKey: InChIKey=WKRDQUNBIWYNSG-WHYQCSQBSA-N
Formula: C29H34O9
Molecular Weight: 526.575971
Exact Mass: 526.220283
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) | 80.4 |
| 2 (CH2) | 35.4 |
| 3 (C) | 175.2 |
| 4 (C) | 83.3 |
| 5 (CH) | 57.6 |
| 6 (CH2) | 23.6 |
| 7 (CH) | 135.3 |
| 8 (C) | 138.2 |
| 9 (C) | 82.3 |
| 10 (C) | 95 |
| 11 (CH2) | 38.8 |
| 12 (CH2) | 30.5 |
| 13 (C) | 50.3 |
| 14 (C) | 198.7 |
| 15 (C) | 98.3 |
| 16 (CH) | 46.6 |
| 17 (C) | 221.6 |
| 18 (CH3) | 26.6 |
| 19 (CH2) | 42.5 |
| 20 (CH) | 41.2 |
| 21 (CH3) | 12.7 |
| 22 (CH) | 33.3 |
| 23 (CH) | 74.6 |
| 24 (CH) | 71 |
| 25 (CH) | 42.6 |
| 26 (C) | 177.9 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 27.6 |
