Spektraris NMR
17b-formyloxy-3b-acetyloxy-28-nor-urs-12-ene
Common Name: 17b-formyloxy-3b-acetyloxy-28-nor-urs-12-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O4/c1-20-11-16-32(35-19-33)18-17-30(7)23(27(32)21(20)2)9-10-25-29(6)14-13-26(36-22(3)34)28(4,5)24(29)12-15-31(25,30)8/h9,19-21,24-27H,10-18H2,1-8H3/t20-,21+,24+,25-,26+,27+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=FHZRQVDKDHKEAE-HIVMQCPTSA-N
Formula: C32H50O4
Molecular Weight: 498.738206
Exact Mass: 498.37091
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Benyahia, S., Benayache, S., Benayache, F., Leon, F., Quintana, J., Lopez, M., Hernandez, J.C., Estevez, F., Bermejo, J. Phytochemistry (2005) 66, 627-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.25 |
| 2 (CH2) | 23.52 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.67 |
| 5 (CH) | 55.33 |
| 6 (CH2) | 18.15 |
| 7 (CH2) | 33.1 |
| 8 (C) | 39.77 |
| 9 (CH) | 47.53 |
| 10 (C) | 36.9 |
| 11 (CH2) | 23.33 |
| 12 (CH) | 126 |
| 13 (C) | 137.8 |
| 14 (C) | 41.66 |
| 15 (CH2) | 26.27 |
| 16 (CH2) | 25.37 |
| 17 (C) | 87.5 |
| 18 (CH) | 56.79 |
| 19 (CH) | 38.83 |
| 20 (CH) | 41.33 |
| 21 (CH2) | 32.11 |
| 22 (CH2) | 36.23 |
| 23 (CH3) | 29.67 |
| 24 (CH3) | 16.72 |
| 25 (CH3) | 20.5 |
| 26 (CH3) | 15.49 |
| 27 (CH3) | 23.33 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 16.96 |
| 3a (C) | 171 |
| 3b (CH3) | 21.28 |
| 17a (CH) | 160.5 |
