Spektraris NMR
16-Oxo-3α-hydroxyserrat-14-en-21β-ol
Common Name: 16-Oxo-3α-hydroxyserrat-14-en-21β-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-26(2)21-10-13-28(5)17-18-16-20(31)25-27(3,4)24(33)11-14-29(25,6)19(18)8-9-22(28)30(21,7)15-12-23(26)32/h16,19,21-25,32-33H,8-15,17H2,1-7H3/t19-,21-,22-,23+,24+,25-,28-,29+,30-/m0/s1
InChIKey: InChIKey=VNOKAWVKCFUZGK-PLTMNBINSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhou, H., Tan, C.H., Jiang, S.H., Zhu, D.Y. J Nat Prod (2003) 66, 1328-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Serratanes; 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) | 33.8 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 75.9 |
| 4 (C) | 38.6 |
| 5 (CH) | 49.4 |
| 6 (CH2) | 19.1 |
| 7 (CH2) | 45.3 |
| 8 (C) | 38.2 |
| 9 (CH) | 62.5 |
| 10 (C) | 38.2 |
| 11 (CH2) | 25.2 |
| 12 (CH2) | 26.7 |
| 13 (CH) | 59.5 |
| 14 (C) | 163.6 |
| 15 (CH) | 128.9 |
| 16 (C) | 201.3 |
| 17 (CH) | 59 |
| 18 (C) | 44.7 |
| 19 (CH2) | 32 |
| 20 (CH2) | 25.9 |
| 21 (CH) | 75 |
| 22 (C) | 37.6 |
| 23 (CH3) | 29.3 |
| 24 (CH3) | 22.6 |
| 25 (CH3) | 16 |
| 26 (CH3) | 20.1 |
| 27 (CH2) | 56.1 |
| 28 (CH3) | 15.2 |
| 29 (CH3) | 22.2 |
| 30 (CH3) | 29.1 |
