Spektraris NMR
16P-Hydroxystellatogenin
Common Name: 16P-Hydroxystellatogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O5/c1-25(2)18-10-13-28(6)19(27(18,5)12-11-20(25)31)9-8-16-22-23(26(3,4)34)17-14-30(22,24(33)35-17)21(32)15-29(16,28)7/h16-23,31-32,34H,8-15H2,1-7H3/t16-,17+,18+,19-,20+,21+,22+,23-,27+,28-,29-,30+/m1/s1
InChIKey: InChIKey=TUGGKIJIUJBTCO-BNHOAFEASA-N
Formula: C30H48O5
Molecular Weight: 488.700258
Exact Mass: 488.350175
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Koyama K., Yama T., Kinoshita K., Takahashi K., Kondo N., Yuasa H. J Nat Prod (1993) 56, 2201
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 29.2 |
| 2 (CH2) | 28.2 |
| 3 (CH) | 78 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 34.9 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 28.5 |
| 13 (CH) | 40.1 |
| 14 (C) | 44.7 |
| 15 (CH2) | 37 |
| 16 (CH) | 68.2 |
| 17 (C) | 59 |
| 18 (CH) | 42.5 |
| 19 (CH) | 56.4 |
| 20 (C) | 69.2 |
| 21 (CH) | 81.6 |
| 22 (CH2) | 42.5 |
| 23 (CH3) | 28.6 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.4 |
| 27 (CH3) | 15.6 |
| 28 (C) | 177 |
| 29 (CH3) | 30.7 |
| 30 (CH3) | 31 |
