Spektraris NMR
Methyl-3-oxo-19b,21b-dihydroxy-30-nor-D:A-fiiedoolean-20(29)-en-27-carboxylate
Common Name: Methyl-3-oxo-19b,21b-dihydroxy-30-nor-D:A-fiiedoolean-20(29)-en-27-carboxylate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O5/c1-17-20(32)16-26(3)12-14-29(6)22-10-11-27(4)18(2)19(31)8-9-21(27)28(22,5)13-15-30(29,25(34)35-7)24(26)23(17)33/h18,20-24,32-33H,1,8-16H2,2-7H3/t18-,20-,21+,22-,23-,24+,26-,27+,28-,29+,30-/m0/s1
InChIKey: InChIKey=ZOEOARKDKIDGNY-UOMUVCHUSA-N
Formula: C30H46O5
Molecular Weight: 486.684376
Exact Mass: 486.334525
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Gibbons, S., Gray, A.I., Hockless, D.C.R., Lavaud, C., Nuzillard, J.M., Massiot, G., Waterman, P.G., White, A.H. Phytochemistry (1993) 34, 273-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 22.3 |
| 2 (CH2) | 30.1 |
| 3 (C) | 211.5 |
| 4 (CH) | 57.5 |
| 5 (C) | 41.8 |
| 6 (CH2) | 40.7 |
| 7 (CH2) | 18.5 |
| 8 (CH) | 51.4 |
| 9 (C) | 37.6 |
| 10 (CH) | 59.3 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 27.4 |
| 13 (C) | 54.5 |
| 14 (C) | 41.3 |
| 15 (CH2) | 29 |
| 16 (CH2) | 36.4 |
| 17 (C) | 33.1 |
| 18 (CH) | 56.3 |
| 19 (CH) | 68.7 |
| 20 (C) | 156.7 |
| 21 (CH) | 67 |
| 22 (CH2) | 45.2 |
| 23 (CH3) | 7 |
| 24 (CH3) | 14.5 |
| 25 (CH3) | 18.6 |
| 26 (CH3) | 18.5 |
| 27 (C) | 177 |
| 28 (CH3) | 35.9 |
| 30 (CH2) | 105.3 |
| 27a (CH3) | 50.8 |
