Spektraris NMR
Spergulatriol
Common Name: Spergulatriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H46O3/c1-16-8-11-26(5)22(16)18(30)15-28(7)23(26)17(29)14-20-25(4)12-10-21(31)24(2,3)19(25)9-13-27(20,28)6/h17-23,29-31H,1,8-15H2,2-7H3/t17-,18+,19+,20-,21+,22-,23-,25+,26+,27-,28-/m1/s1
InChIKey: InChIKey=QLYYJDGQTGKQSV-WTJCQLNZSA-N
Formula: C28H46O3
Molecular Weight: 430.664095
Exact Mass: 430.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Sahu, N.P., Koike, K., Banerjee, S., Achari, B., Nikaido, T. Phytochemistry (2001) 58, 1177-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 39.1 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 78 |
| 4 (C) | 39.5 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 19 |
| 7 (CH2) | 33.6 |
| 8 (C) | 45.37 |
| 9 (CH) | 49.3 |
| 10 (C) | 37.3 |
| 11 (CH2) | 33.2 |
| 12 (CH) | 69.3 |
| 13 (CH) | 54 |
| 14 (C) | 41.8 |
| 15 (CH2) | 45.1 |
| 16 (CH) | 67.2 |
| 17 (CH) | 62.2 |
| 18 (C) | 45.39 |
| 19 (CH2) | 43.2 |
| 20 (CH2) | 29.9 |
| 21 (C) | 152.2 |
| 22 (CH2) | 106 |
| 23 (CH3) | 28.7 |
| 24 (CH3) | 16.3 |
| 25 (CH3) | 16.1 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 19.1 |
| 28 (CH3) | 16 |
