Spektraris NMR
Endodesmiadiol
Common Name: Endodesmiadiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-19-24(33)20(32)16-22-26(19,4)9-8-21-27(22,5)11-12-29(7)23-17-25(2,3)10-14-30(23,18-31)15-13-28(21,29)6/h19-23,31-32H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,26+,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=HQFULWCDKPRQOS-PSYQAOKWSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Ngouamegne, E.T., Fongang, R.S., Ngouela, S., Boyom, F.F., Rohmer, M., Tsamo, E., Gut, J., Rosenthal, P.J. Chem Pharm Bull (2008) 56, 374-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 30 |
| 2 (CH) | 73.6 |
| 3 (C) | 214.9 |
| 4 (CH) | 52.7 |
| 5 (C) | 43.2 |
| 6 (CH2) | 41 |
| 7 (CH2) | 18.2 |
| 8 (CH) | 52.4 |
| 9 (C) | 36.8 |
| 10 (CH) | 52.1 |
| 11 (CH2) | 35.1 |
| 12 (CH2) | 30.2 |
| 13 (C) | 39.4 |
| 14 (C) | 38.1 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 29 |
| 17 (C) | 35.1 |
| 18 (CH) | 39.5 |
| 19 (CH2) | 34.4 |
| 20 (C) | 28 |
| 21 (CH2) | 31.1 |
| 22 (CH2) | 33.2 |
| 23 (CH3) | 6.3 |
| 24 (CH3) | 13.9 |
| 25 (CH3) | 17.9 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 19.2 |
| 28 (CH2) | 67.3 |
| 29 (CH3) | 32.7 |
| 30 (CH3) | 34.1 |
