Spektraris NMR
cleogynol
Common Name: cleogynol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-24(2)21-11-14-27(6)22(29(21)16-17-30(24,32)33-18-29)9-8-19-20(10-13-26(19,27)5)28(7)15-12-23(34-28)25(3,4)31/h19-23,31-32H,8-18H2,1-7H3/t19-,20+,21+,22+,23+,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=VQVGNVXQGAGQRV-KPUBDMCPSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nagaya, H., Tobita, Y., Nagae, T., Itokawa, H., Takeya, K., Halim, A.F., AbdelHalim, O.B. Phytochemistry (1997) 44, 1115-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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 |
| 2 (CH2) | 29.6 |
| 3 (C) | 98.2 |
| 4 (C) | 40.4 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 19.8 |
| 7 (CH2) | 33.4 |
| 8 (C) | 39.3 |
| 9 (CH) | 45.3 |
| 10 (C) | 35.6 |
| 11 (CH2) | 22.7 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 43.2 |
| 14 (C) | 49.6 |
| 15 (CH2) | 31.4 |
| 16 (CH2) | 25.6 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 18.5 |
| 19 (CH2) | 68.1 |
| 20 (C) | 86.3 |
| 21 (CH3) | 23.4 |
| 22 (CH2) | 35.6 |
| 23 (CH2) | 26.2 |
| 24 (CH) | 83.3 |
| 25 (C) | 71.4 |
| 26 (CH3) | 26.8 |
| 27 (CH3) | 24.3 |
| 28 (CH3) | 24.3 |
| 29 (CH3) | 15.2 |
| 30 (CH3) | 16 |
