Spektraris NMR
(23E)-cycloart-23-ene-3β,25-diol
Common Name: (23E)-cycloart-23-ene-3β,25-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8,14,20-24,31-32H,9-13,15-19H2,1-7H3/b14-8+/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=JSPGKOBNHWTKNT-CPGXJQKCSA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Takahashi, S., Satoh, H., Hongo, Y., Koshino, H. J Org Chem (2007) 72, 4578-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 33.2 |
| 2 (CH2) | 31 |
| 3 (CH) | 79.5 |
| 4 (C) | 41.6 |
| 5 (CH) | 48.6 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 27.2 |
| 8 (CH) | 49.6 |
| 9 (C) | 21.2 |
| 10 (C) | 27.4 |
| 11 (CH2) | 27.5 |
| 12 (CH2) | 34.1 |
| 13 (C) | 46.5 |
| 14 (C) | 50 |
| 15 (CH2) | 36.8 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 53.2 |
| 18 (CH3) | 18.7 |
| 19 (CH2) | 30.9 |
| 20 (CH) | 37.8 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 40.2 |
| 23 (CH) | 126.1 |
| 24 (CH) | 140.7 |
| 25 (C) | 71.2 |
| 26 (CH3) | 30.1 |
| 27 (CH3) | 30 |
| 28 (CH3) | 26.1 |
| 29 (CH3) | 14.7 |
| 30 (CH3) | 19.8 |
