Spektraris NMR
Zeorin-6-acetate
Common Name: Zeorin-6-acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-20(33)35-23-19-32(9)25(30(7)16-10-15-27(2,3)26(23)30)12-11-24-29(6)17-13-21(28(4,5)34)22(29)14-18-31(24,32)8/h21-26,34H,10-19H2,1-9H3/t21-,22-,23-,24+,25+,26-,29-,30+,31+,32+/m0/s1
InChIKey: InChIKey=ZAXKPBFJEDPXHH-VEQPMEMCSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Wilkins A.L., Elix J.A., Gaul K.L., Moberg R. Aust J Chem (1989) 42, 1415
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 40.2 |
| 2 (CH2) | 18.4 |
| 3 (CH2) | 43.5 |
| 4 (C) | 33.2 |
| 5 (CH) | 58.5 |
| 6 (CH) | 72 |
| 7 (CH2) | 41 |
| 8 (C) | 42.8 |
| 9 (CH) | 49.4 |
| 10 (C) | 39.6 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 24 |
| 13 (CH) | 49.9 |
| 14 (C) | 42.1 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 21.9 |
| 17 (CH) | 54 |
| 18 (C) | 44 |
| 19 (CH2) | 41.3 |
| 20 (CH2) | 26.6 |
| 21 (CH) | 51.1 |
| 22 (C) | 73.8 |
| 23 (CH3) | 36.3 |
| 24 (CH3) | 22.2 |
| 25 (CH3) | 17.1 |
| 26 (CH3) | 18.1 |
| 27 (CH3) | 17.1 |
| 28 (CH3) | 16.1 |
| 29 (CH3) | 28.9 |
| 30 (CH3) | 31 |
| 6a (C) | 170.3 |
| 6b (CH3) | 22 |
