Spektraris NMR
Eryloside F7
Common Name: Eryloside F7
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H74O14/c1-22(12-18-43(9,54)39(2,3)4)23-14-19-44(38(52)53)25-10-11-28-40(5,6)29(15-16-41(28,7)24(25)13-17-42(23,44)8)57-37-34(51)35(31(48)27(21-46)56-37)58-36-33(50)32(49)30(47)26(20-45)55-36/h22-23,26-37,45-51,54H,10-21H2,1-9H3,(H,52,53)/t22-,23-,26-,27-,28+,29+,30-,31+,32+,33-,34-,35+,36+,37+,41-,42-,43?,44+/m1/s1
InChIKey: InChIKey=FWFBFASIWFTQFR-WVPZGKKSSA-N
Formula: C44H74O14
Molecular Weight: 827.051664
Exact Mass: 826.507857
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Afiyatullov, S.S., Kalinovsky, A.I., Antonov, A.S., Ponomarenko, L.P., Dmitrenok, P.S., Aminin, D.L., Krasokhin, V.B., Nosova, V.M., Kisin, A.V. J Nat Prod (2007) 70, 1871-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 35.3 |
| 2 (CH2) | 27 |
| 3 (CH) | 88.4 |
| 4 (C) | 39.4 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 27.9 |
| 8 (C) | 127.9 |
| 9 (C) | 139.9 |
| 10 (C) | 37.3 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 46.9 |
| 14 (C) | 62.7 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.5 |
| 17 (CH) | 51.5 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 37.4 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 30.4 |
| 23 (CH2) | 33.5 |
| 24 (C) | 75.2 |
| 25 (C) | 38.5 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 16.6 |
| 30 (C) | 178.3 |
| 1' (CH) | 106.9 |
| 2' (CH) | 71.9 |
| 3' (CH) | 85 |
| 4' (CH) | 69.7 |
| 5' (CH) | 76.3 |
| 6' (CH2) | 62.2 |
| 1'' (CH) | 106.4 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 78.4 |
| 6'' (CH2) | 62.4 |
| 24a (CH3) | 21 |
| 25a (CH3) | 25.7 |
