Spektraris NMR
Eryloside F5
Common Name: Eryloside F5
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C46H77NO14/c1-23(13-19-45(10,57)41(3,4)5)25-15-20-46(40(55)56)27-11-12-30-42(6,7)31(16-17-43(30,8)26(27)14-18-44(25,46)9)60-39-37(36(54)34(52)29(22-49)59-39)61-38-32(47-24(2)50)35(53)33(51)28(21-48)58-38/h23,25,28-39,48-49,51-54,57H,11-22H2,1-10H3,(H,47,50)(H,55,56)/t23-,25-,28-,29-,30+,31+,32-,33-,34+,35-,36+,37-,38+,39+,43-,44-,45?,46+/m1/s1
InChIKey: InChIKey=XJDGQBYYBQOMDU-HPGQLBRFSA-N
Formula: C46H77N1O14
Molecular Weight: 868.103701
Exact Mass: 867.534406
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) | 88.8 |
| 4 (C) | 39.5 |
| 5 (CH) | 50.3 |
| 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) | 31.8 |
| 13 (C) | 46.9 |
| 14 (C) | 62.8 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.5 |
| 17 (CH) | 51.6 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 37.4 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 30.4 |
| 23 (CH2) | 33.5 |
| 24 (C) | 75.3 |
| 25 (C) | 38.5 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.3 |
| 1' (CH) | 104.8 |
| 2' (CH) | 80.8 |
| 3' (CH) | 75.9 |
| 4' (CH) | 69.8 |
| 5' (CH) | 76.2 |
| 6' (CH2) | 61.9 |
| 1'' (CH) | 102.8 |
| 2'' (CH) | 59.3 |
| 3'' (CH) | 78 |
| 4'' (CH) | 72.5 |
| 5'' (CH) | 77.4 |
| 6'' (CH2) | 62.9 |
| 24a (CH3) | 21 |
| 25a (CH3) | 25.7 |
| 2''a (C) | 172.5 |
| 2''b (CH3) | 23 |
