Spektraris NMR
Glyyunnansapogenin G
Common Name: Glyyunnansapogenin G
Synonyms: Glyyunnansapogenin G
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-25(2)21-10-13-30(7)22(28(21,5)12-11-23(25)32)9-8-19-20-16-27(4,18-31)24(33)17-26(20,3)14-15-29(19,30)6/h8-9,20-21,23-24,31-33H,10-18H2,1-7H3/t20-,21-,23-,24+,26-,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=GDYKDFGBOGVUGI-KMGMEBOGSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ohtani, K., Kasai, R., Yang, C.R., Yamasaki, K., Zhou, J., Tanaka, O. Phytochemistry (1994) 36, 139-45
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) | 37.9 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 77.9 |
| 4 (C) | 39.5 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 32.6 |
| 8 (C) | 43.1 |
| 9 (C) | 155.2 |
| 10 (C) | 41.3 |
| 11 (CH) | 116 |
| 12 (CH) | 121.6 |
| 13 (C) | 147.2 |
| 14 (C) | 39.2 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 31.2 |
| 17 (C) | 33.2 |
| 18 (CH) | 44.5 |
| 19 (CH2) | 38 |
| 20 (C) | 40.1 |
| 21 (CH) | 71 |
| 22 (CH2) | 45.2 |
| 23 (CH3) | 28.9 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 25.5 |
| 26 (CH3) | 21.2 |
| 27 (CH3) | 19.9 |
| 28 (CH3) | 29.1 |
| 29 (CH2) | 73.3 |
| 30 (CH3) | 20.7 |
