Spektraris NMR
Henridilactone A
Common Name: Henridilactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O10/c1-12-18-19(35-22(12)32)17-20-25(4,23(33)26(17,5)34)8-9-27-11-28-14(24(2,3)36-15(28)10-16(30)37-28)7-6-13(27)21(31)29(20,38-18)39-27/h6,12,14-15,17-20,34H,7-11H2,1-5H3/t12-,14-,15+,17+,18+,19+,20-,25-,26+,27-,28+,29-/m1/s1
InChIKey: InChIKey=OQVDYQZQKJDATC-ZXAOTWBWSA-N
Formula: C29H34O10
Molecular Weight: 542.575376
Exact Mass: 542.215197
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) | 174.9 |
| 4 (C) | 83.2 |
| 5 (CH) | 57.7 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 135.3 |
| 8 (C) | 137.8 |
| 9 (C) | 82.7 |
| 10 (C) | 94.7 |
| 11 (CH2) | 39.1 |
| 12 (CH2) | 31 |
| 13 (C) | 49.6 |
| 14 (C) | 198.4 |
| 15 (C) | 98.6 |
| 16 (CH) | 45.9 |
| 17 (C) | 220.2 |
| 18 (CH3) | 27.5 |
| 19 (CH2) | 42.5 |
| 20 (C) | 74.6 |
| 21 (CH3) | 25.3 |
| 22 (CH) | 42.2 |
| 23 (CH) | 73.6 |
| 24 (CH) | 71.7 |
| 25 (CH) | 41.7 |
| 26 (C) | 178.1 |
| 27 (CH3) | 8.5 |
| 28 (CH3) | 20.4 |
| 29 (CH3) | 27.5 |
