Spektraris NMR
Certonardosterol K
Common Name: Certonardosterol K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H46O6/c1-15(9-12-28)5-6-16(2)17-13-19(30)24-25(17,3)11-8-21-26(4)10-7-18(29)23(32)22(26)20(31)14-27(21,24)33/h5-6,15-24,28-33H,7-14H2,1-4H3/b6-5+/t15?,16-,17-,18+,19-,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1
InChIKey: InChIKey=ZKQPZFSHMMPNLV-NNQAMVOTSA-N
Formula: C27H46O6
Molecular Weight: 466.651573
Exact Mass: 466.329439
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, W., Li, F., Park, Y., Hong, J., Lee, C.O., Kong, J.Y., Shin, S., Im, K.S., Jung, J.H. J Nat Prod (2003) 66, 384-91
Species:
Notes: Family : Steroids, Type : Campestanes; 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) | 39.7 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 73.7 |
| 4 (CH) | 69.1 |
| 5 (CH) | 57.3 |
| 6 (CH) | 64.7 |
| 7 (CH2) | 49.6 |
| 8 (C) | 77.4 |
| 9 (CH) | 58.4 |
| 10 (C) | 38.2 |
| 11 (CH2) | 19.2 |
| 12 (CH2) | 43.2 |
| 13 (C) | 44.2 |
| 14 (CH) | 62.9 |
| 15 (CH) | 71.1 |
| 16 (CH2) | 43.4 |
| 17 (CH) | 57.6 |
| 18 (CH3) | 16.6 |
| 19 (CH3) | 17 |
| 20 (CH) | 41 |
| 21 (CH3) | 21.1 |
| 22 (CH) | 136.7 |
| 23 (CH) | 134.6 |
| 24 (CH) | 34.7 |
| 25 (CH2) | 40.9 |
| 26 (CH2) | 61.3 |
| 24a (CH3) | 21.7 |
