Spektraris NMR
21b,25-Dimethylmelianodiol[(21S,23R)epoxy-24-hydroxy-21‚,25-dimethoxy]tirucalla-7-en-3-one
![21b,25-Dimethylmelianodiol[(21S,23R)epoxy-24-hydroxy-21‚,25-dimethoxy]tirucalla-7-en-3-one](/nmr/static/nmr/svg/12368.svg)
Common Name: 21b,25-Dimethylmelianodiol[(21S,23R)epoxy-24-hydroxy-21‚,25-dimethoxy]tirucalla-7-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O5/c1-28(2)24-11-10-22-21(30(24,5)15-14-25(28)33)13-17-31(6)20(12-16-32(22,31)7)19-18-23(37-27(19)35-8)26(34)29(3,4)36-9/h10,19-21,23-24,26-27,34H,11-18H2,1-9H3/t19?,20-,21-,23+,24-,26?,27-,30+,31-,32+/m0/s1
InChIKey: InChIKey=LEHCWPXGSDLCRO-PMHPQPFMSA-N
Formula: C32H52O5
Molecular Weight: 516.753493
Exact Mass: 516.381475
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Biavatti, M.W., Vieira, P.C., Da Silva, M.F., Fernandes, J.B., Albuquerque, S. J Nat Prod (2002) 65, 562-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 38.5 |
| 2 (CH2) | 35 |
| 3 (C) | 216.7 |
| 4 (C) | 47.9 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 24.5 |
| 7 (CH) | 118 |
| 8 (C) | 145.3 |
| 9 (CH) | 48.3 |
| 10 (C) | 34.9 |
| 11 (CH2) | 17.8 |
| 12 (CH2) | 31 |
| 13 (C) | 43.6 |
| 14 (C) | 51 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 29.7 |
| 17 (CH) | 44.9 |
| 18 (CH3) | 23.2 |
| 19 (CH3) | 12.7 |
| 20 (CH) | 49.3 |
| 21 (CH) | 104.7 |
| 22 (CH2) | 32.5 |
| 23 (CH) | 77.8 |
| 24 (CH) | 76.7 |
| 25 (C) | 77.7 |
| 26 (CH3) | 22.3 |
| 27 (CH3) | 20 |
| 28 (CH3) | 24.4 |
| 29 (CH3) | 21.5 |
| 30 (CH3) | 27.4 |
| 21a (CH3) | 54.9 |
| 25a (CH3) | 49.2 |
