Spektraris NMR
Eryloside F6
Common Name: Eryloside F6
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H77NO15/c1-23(2)46(10,63-26(5)52)19-13-24(3)27-15-20-47(42(57)58)29-11-12-32-43(6,7)33(16-17-44(32,8)28(29)14-18-45(27,47)9)61-41-39(38(56)36(54)31(22-50)60-41)62-40-34(48-25(4)51)37(55)35(53)30(21-49)59-40/h23-24,27,30-41,49-50,53-56H,11-22H2,1-10H3,(H,48,51)(H,57,58)/t24-,27-,30-,31-,32+,33+,34-,35-,36+,37-,38+,39-,40+,41+,44-,45-,46?,47+/m1/s1
InChIKey: InChIKey=WMOIUTVCNAQFAG-QSDRULECSA-N
Formula: C47H77N1O15
Molecular Weight: 896.113842
Exact Mass: 895.529321
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) | 35.2 |
| 2 (CH2) | 27 |
| 3 (CH) | 88.7 |
| 4 (C) | 39.5 |
| 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) | 22.4 |
| 12 (CH2) | 31.6 |
| 13 (C) | 46.9 |
| 14 (C) | 62.8 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 29.6 |
| 17 (CH) | 51 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 36.8 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 29.5 |
| 23 (CH2) | 32.5 |
| 24 (C) | 87.4 |
| 25 (CH) | 34 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.2 |
| 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) | 19.7 |
| 24b (C) | 169.8 |
| 24c (CH3) | 21.9 |
| 2''a (C) | 172.5 |
| 2''b (CH3) | 23 |
