Spektraris NMR
14β,15β-epoxy-3β-hydroxyserratan-21α-ol-3β-o-acetate
Common Name: 14β,15β-epoxy-3β-hydroxyserratan-21α-ol-3β-o-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-19(33)35-25-13-16-30(7)20(28(25,4)5)11-14-29(6)18-32-22(10-9-21(29)30)31(8)15-12-24(34)27(2,3)23(31)17-26(32)36-32/h20-26,34H,9-18H2,1-8H3/t20-,21-,22+,23-,24-,25-,26+,29-,30-,31+,32-/m0/s1
InChIKey: InChIKey=AOUOJKOZFHRAFF-SZZPHUHDSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: CDCl3
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) | 38.4 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 80.8 |
| 4 (C) | 38 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 44.6 |
| 8 (C) | 39.1 |
| 9 (CH) | 63.1 |
| 10 (C) | 37.9 |
| 11 (CH2) | 25.5 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 56.9 |
| 14 (C) | 61.1 |
| 15 (CH) | 59.8 |
| 16 (CH2) | 22.8 |
| 17 (CH) | 43.8 |
| 18 (C) | 35.6 |
| 19 (CH2) | 37.8 |
| 20 (CH2) | 23.8 |
| 21 (CH) | 78.8 |
| 22 (C) | 38.4 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 20.3 |
| 27 (CH2) | 55.2 |
| 28 (CH3) | 14.8 |
| 29 (CH3) | 15.6 |
| 30 (CH3) | 27.6 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
