Spektraris NMR
Erythrodiol-3-acetate
Common Name: Erythrodiol-3-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/c1-21(34)35-26-12-13-29(6)24(28(26,4)5)11-14-31(8)25(29)10-9-22-23-19-27(2,3)15-17-32(23,20-33)18-16-30(22,31)7/h9,23-26,33H,10-20H2,1-8H3/t23-,24-,25+,26-,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=HXBWNAVRXULPIK-NEIIXNPVSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nomura M., T.Tokoroyama, Kubota T. Phytochemistry (1981) 20, 1097
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 37.9 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 81 |
| 4 (C) | 37.1 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 32.7 |
| 8 (C) | 37 |
| 9 (CH) | 47.7 |
| 10 (C) | 37 |
| 11 (CH2) | 23.7 |
| 12 (CH) | 122.4 |
| 13 (C) | 144.4 |
| 14 (C) | 41.9 |
| 15 (CH2) | 25.7 |
| 16 (CH2) | 22.2 |
| 17 (C) | 38.5 |
| 18 (CH) | 42.5 |
| 19 (CH2) | 46.6 |
| 20 (C) | 31.2 |
| 21 (CH2) | 34.3 |
| 22 (CH2) | 31.1 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.9 |
| 25 (CH3) | 15.7 |
| 26 (CH3) | 16.9 |
| 27 (CH3) | 26.1 |
| 28 (CH2) | 69.8 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 23.7 |
| 3a (C) | 171 |
| 3b (CH3) | 21.4 |
