Spektraris NMR
Celastolide
Common Name: Celastolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-18-22(31)35-24-30(18)9-7-19-27(4,20(30)8-16-34-24)13-15-29(6)21-17-26(3,23(32)33)11-10-25(21,2)12-14-28(19,29)5/h18-21,24H,7-17H2,1-6H3,(H,32,33)/t18-,19-,20+,21+,24-,25+,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=MHUNAMWYXWYEMX-BMSXTOERSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.G., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. Phytochemistry (1997) 46, 535-43
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 18.3 |
| 2 (CH2) | 57.4 |
| 3 (C) | 178.6 |
| 4 (CH) | 41.1 |
| 5 (C) | 42.1 |
| 6 (CH2) | 31.5 |
| 7 (CH2) | 17.5 |
| 8 (CH) | 49.2 |
| 9 (C) | 37.7 |
| 10 (CH) | 45.9 |
| 11 (CH2) | 34.7 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.1 |
| 14 (C) | 39 |
| 15 (CH2) | 29.8 |
| 16 (CH2) | 36.1 |
| 17 (C) | 30.1 |
| 18 (CH) | 44 |
| 19 (CH2) | 30.2 |
| 20 (C) | 40.4 |
| 21 (CH2) | 29.4 |
| 22 (CH2) | 36.9 |
| 23 (CH3) | 9.5 |
| 24 (CH) | 102.9 |
| 25 (CH3) | 18.6 |
| 26 (CH3) | 17.9 |
| 27 (CH3) | 17 |
| 28 (CH3) | 31.9 |
| 29 (C) | 184.6 |
| 30 (CH3) | 31.2 |
