Spektraris NMR
12b-Hydroxyscillirosidin
Common Name: 12b-Hydroxyscillirosidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O8/c1-14(27)34-19-12-25(31)20(23(2)8-6-16(28)10-18(19)23)11-21(29)24(3)17(7-9-26(24,25)32)15-4-5-22(30)33-13-15/h4-5,10,13,16-17,19-21,28-29,31-32H,6-9,11-12H2,1-3H3/t16-,17+,19+,20+,21+,23-,24-,25-,26+/m0/s1
InChIKey: InChIKey=VISZQEIOBOOGPB-XCLWKKTASA-N
Formula: C26H34O8
Molecular Weight: 474.544358
Exact Mass: 474.225368
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Pohl, T., Koorbanally, C., Crouch, N.R., Mulholland, D.A. Phytochemistry (2001) 58, 557-61
Species:
Notes: Family : Steroids, Type : nor-Cholanes, Group : Bufanolides; 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) | 37.9 |
| 2 (CH2) | 27.9 |
| 3 (CH) | 67.1 |
| 4 (CH) | 133.3 |
| 5 (C) | 140.7 |
| 6 (CH) | 76.1 |
| 7 (CH2) | 37.6 |
| 8 (C) | 75.7 |
| 9 (CH) | 47.9 |
| 10 (C) | 36.6 |
| 11 (CH2) | 26.7 |
| 12 (CH) | 76.1 |
| 13 (C) | 55.4 |
| 14 (C) | 85.6 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 29.1 |
| 17 (CH) | 47.1 |
| 18 (CH3) | 12 |
| 19 (CH3) | 21.7 |
| 20 (C) | 123.8 |
| 21 (CH) | 149.6 |
| 22 (CH) | 148.1 |
| 23 (CH) | 114.2 |
| 24 (C) | 163.5 |
| 6a (C) | 170.1 |
| 6b (CH3) | 20.4 |
