Spektraris NMR
Sanguisorbigenin
Common Name: Sanguisorbigenin
Synonyms: Sanguisorbigenin
CAS Registry Number:
InChI: InChI=1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,21-24,31H,9-17H2,1-7H3,(H,32,33)/t21-,22+,23-,24-,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=HKJOHXSLBNLQHF-OXLNSTONSA-N
Formula: C30H46O3
Molecular Weight: 454.685566
Exact Mass: 454.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mimaki, Y., Fukushima, M., Yokosuka, A., Sashida, Y., Furuya, S., Sakagami, H. Phytochemistry (2001) 57, 773-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 39.3 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.6 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 34.3 |
| 8 (C) | 39.3 |
| 9 (CH) | 48.2 |
| 10 (C) | 37.2 |
| 11 (CH2) | 23.6 |
| 12 (CH) | 127.3 |
| 13 (C) | 138.5 |
| 14 (C) | 43.8 |
| 15 (CH2) | 28.6 |
| 16 (CH2) | 23.9 |
| 17 (C) | 46.9 |
| 18 (CH) | 50.7 |
| 19 (C) | 129 |
| 20 (C) | 123.9 |
| 21 (CH2) | 28.7 |
| 22 (CH2) | 33.5 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 18 |
| 27 (CH3) | 22.1 |
| 28 (C) | 180 |
| 29 (CH3) | 17.3 |
| 30 (CH3) | 20.5 |
