Spektraris NMR
14β,15β-epoxy-3β-hydroxyserratan-21α-ol
Common Name: 14β,15β-epoxy-3β-hydroxyserratan-21α-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)18-10-13-27(5)17-30-20(9-8-19(27)28(18,6)14-11-22(25)31)29(7)15-12-23(32)26(3,4)21(29)16-24(30)33-30/h18-24,31-32H,8-17H2,1-7H3/t18-,19-,20+,21-,22-,23-,24+,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=KBPDQXXAYOMILW-FSHVKHEYSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Zhou, H., Jiang, S.H., Tan, C.H., Wang, B.D., Zhu, D.Y. Planta Med (2003) 69, 91-4
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) | 39.3 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 79 |
| 4 (C) | 39.6 |
| 5 (CH) | 56.2 |
| 6 (CH2) | 19 |
| 7 (CH2) | 45.3 |
| 8 (C) | 39.5 |
| 9 (CH) | 63.8 |
| 10 (C) | 38.6 |
| 11 (CH2) | 25.9 |
| 12 (CH2) | 27.5 |
| 13 (CH) | 57.5 |
| 14 (C) | 62.3 |
| 15 (CH) | 60.7 |
| 16 (CH2) | 23.3 |
| 17 (CH) | 44.4 |
| 18 (C) | 36.1 |
| 19 (CH2) | 38.4 |
| 20 (CH2) | 27.8 |
| 21 (CH) | 79.2 |
| 22 (C) | 38.9 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 20.8 |
| 27 (CH2) | 55.8 |
| 28 (CH3) | 15.2 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 28.4 |
