Spektraris NMR
Tricalysioside O
Common Name: Tricalysioside O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O12/c1-14(32)39-24-26-8-5-18-25(2,7-6-19(33)27(18,11-30)12-31)17(26)4-3-15(9-26)28(24,37)13-38-23-22(36)21(35)20(34)16(10-29)40-23/h15-24,29-31,33-37H,3-13H2,1-2H3/t15-,16-,17+,18+,19-,20-,21+,22-,23-,24-,25+,26-,28+/m1/s1
InChIKey: InChIKey=KPBCFYROXAXRQW-NRLTZYPWSA-N
Formula: C28H46O12
Molecular Weight: 574.658739
Exact Mass: 574.298927
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - He, D.H., Matsunami, K., Otsuka, H., Shinzato, T., Aramoto, M., Bando, M., Takeda, Y. Phytochemistry (2005) 66, 2857-64
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 36.3 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 74.3 |
| 4 (C) | 47.1 |
| 5 (CH) | 48.3 |
| 6 (CH2) | 20.3 |
| 7 (CH2) | 38.8 |
| 8 (C) | 47.5 |
| 9 (CH) | 55.8 |
| 10 (C) | 39.2 |
| 11 (CH2) | 19 |
| 12 (CH2) | 25.9 |
| 13 (CH) | 44.9 |
| 14 (CH2) | 36.5 |
| 15 (CH) | 83.9 |
| 16 (C) | 81.2 |
| 17 (CH2) | 75.4 |
| 18 (CH2) | 63.8 |
| 19 (CH2) | 63.1 |
| 20 (CH3) | 18.3 |
| 1' (CH) | 106.6 |
| 2' (CH) | 75.5 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 62.7 |
| 1ea (C) | 171.1 |
| 1eb (CH3) | 21.1 |
