Spektraris NMR
Presenegenin
Common Name: Presenegenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O7/c1-25(2)10-11-29(24(36)37)12-13-30(16-31)17(18(29)14-25)6-7-20-26(3)15-19(32)22(33)28(5,23(34)35)21(26)8-9-27(20,30)4/h6,18-22,31-33H,7-16H2,1-5H3,(H,34,35)(H,36,37)/t18-,19-,20+,21+,22-,26+,27+,28-,29-,30-/m0/s1
InChIKey: InChIKey=VGTALXLMFZXQSK-XIZCRSLYSA-N
Formula: C30H46O7
Molecular Weight: 518.683186
Exact Mass: 518.324354
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sakuma S., Shoji J. Chem Pharm Bull (1982) 30, 810
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) | 45 |
| 2 (CH) | 71.6 |
| 3 (CH) | 75.8 |
| 4 (C) | 54 |
| 5 (CH) | 52.3 |
| 6 (CH2) | 21.6 |
| 7 (CH2) | 34.1 |
| 8 (C) | 40.9 |
| 9 (CH) | 49.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 24 |
| 12 (CH) | 127.6 |
| 13 (C) | 139.7 |
| 14 (C) | 46.5 |
| 15 (CH2) | 24.7 |
| 16 (CH2) | 24.1 |
| 17 (C) | 48.1 |
| 18 (CH) | 41.8 |
| 19 (CH2) | 45.5 |
| 20 (C) | 31 |
| 21 (CH2) | 33.5 |
| 22 (CH2) | 33.2 |
| 23 (C) | 180.8 |
| 24 (CH3) | 13.7 |
| 25 (CH3) | 17.5 |
| 26 (CH3) | 18.8 |
| 27 (CH2) | 64.4 |
| 28 (C) | 180.8 |
| 29 (CH3) | 33.2 |
| 30 (CH3) | 23.2 |
