Spektraris NMR
23-Hydroxyprimulagenin A
Common Name: 23-Hydroxyprimulagenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O4/c1-25(2)13-14-30(18-32)20(15-25)19-7-8-22-26(3)11-10-23(33)27(4,17-31)21(26)9-12-28(22,5)29(19,6)16-24(30)34/h7,20-24,31-34H,8-18H2,1-6H3/t20-,21+,22+,23-,24+,26-,27-,28+,29+,30+/m0/s1
InChIKey: InChIKey=IACGAAXNDKIGSX-ZVAMACQUSA-N
Formula: C30H50O4
Molecular Weight: 474.716734
Exact Mass: 474.37091
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Amoros M., Girre R. L. Phytochemistry (1987) 26, 787
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) | 38.9 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 74.1 |
| 4 (C) | 42.7 |
| 5 (CH) | 48.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33 |
| 8 (C) | 40.1 |
| 9 (CH) | 47.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.3 |
| 13 (C) | 145.2 |
| 14 (C) | 42 |
| 15 (CH2) | 34.7 |
| 16 (CH) | 73.9 |
| 17 (C) | 40.9 |
| 18 (CH) | 42.6 |
| 19 (CH2) | 48.2 |
| 20 (C) | 31.1 |
| 21 (CH2) | 37.1 |
| 22 (CH2) | 30.2 |
| 23 (CH2) | 68.6 |
| 24 (CH3) | 12.9 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 27.3 |
| 28 (CH2) | 70.2 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 24.9 |
