Spektraris NMR
16-Oxo-21β-hydroxyserrat-14-en-3α-yl acetate
Common Name: 16-Oxo-21β-hydroxyserrat-14-en-3α-yl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-19(33)36-26-13-16-32(8)23(28(26,2)3)11-14-30(6)18-20-17-22(34)27-29(4,5)25(35)12-15-31(27,7)21(20)9-10-24(30)32/h17,21,23-27,35H,9-16,18H2,1-8H3/t21-,23-,24-,25+,26+,27-,30-,31+,32-/m0/s1
InChIKey: InChIKey=VFVDXNSOUFNGHI-NHXTYUOXSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
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) | 24.5 |
| 3 (CH) | 78.1 |
| 4 (C) | 36.7 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 44.7 |
| 8 (C) | 38.2 |
| 9 (CH) | 62.4 |
| 10 (C) | 38 |
| 11 (CH2) | 24.9 |
| 12 (CH2) | 26.4 |
| 13 (CH) | 58.5 |
| 14 (C) | 163.5 |
| 15 (CH) | 128.6 |
| 16 (C) | 201.2 |
| 17 (CH) | 58.7 |
| 18 (C) | 44.3 |
| 19 (CH2) | 31.4 |
| 20 (CH2) | 22.9 |
| 21 (CH) | 76.7 |
| 22 (C) | 36.8 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 21.7 |
| 25 (CH3) | 14.8 |
| 26 (CH3) | 20 |
| 27 (CH2) | 55.8 |
| 28 (CH3) | 15.6 |
| 29 (CH3) | 21.4 |
| 30 (CH3) | 28 |
| 3a (C) | 170.3 |
| 3b (CH3) | 21.3 |
