Spektraris NMR
Eryloside N
Common Name: Eryloside N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H74O16/c1-22(2)9-8-10-23(3)24-14-18-46(42(55)56)26-11-12-30-43(4,5)31(15-16-44(30,6)25(26)13-17-45(24,46)7)60-41-38(62-40-36(54)34(52)33(51)29(19-47)59-40)37(28(49)21-58-41)61-39-35(53)32(50)27(48)20-57-39/h9,23-24,27-41,47-54H,8,10-21H2,1-7H3,(H,55,56)/t23-,24-,27+,28+,29-,30+,31+,32+,33+,34+,35-,36-,37+,38-,39+,40+,41+,44-,45-,46+/m1/s1
InChIKey: InChIKey=FKCOUVSITIUHHA-YITMVSQMSA-N
Formula: C46H74O16
Molecular Weight: 883.071946
Exact Mass: 882.497686
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Antonov, A.S., Kalinovsky, A.I., Stonik, V.A., Afiyatullov, S.S., Aminin, D.L., Dmitrenok, P.S., Mollo, E., Cimino, G. J Nat Prod (2007) 70, 169-78
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) | 26.9 |
| 3 (CH) | 88.4 |
| 4 (C) | 39.6 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 27.9 |
| 8 (C) | 127.9 |
| 9 (C) | 139.9 |
| 10 (C) | 37.4 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 46.9 |
| 14 (C) | 62.8 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.5 |
| 17 (CH) | 51 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.6 |
| 20 (CH) | 36 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 25 |
| 24 (CH) | 125.5 |
| 25 (C) | 130.6 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 17.4 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.3 |
| 1' (CH) | 104.9 |
| 2' (CH) | 77 |
| 3' (CH) | 81.3 |
| 4' (CH) | 68 |
| 5' (CH2) | 65.1 |
| 1'' (CH) | 105 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 75.3 |
| 4'' (CH) | 69.5 |
| 5'' (CH) | 76.1 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 74.2 |
| 4''' (CH) | 69 |
| 5''' (CH2) | 66.2 |
