Spektraris NMR
Eryloside F3
Common Name: Eryloside F3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H66O13/c1-20(2)25(43)10-8-21(3)22-13-17-41(37(49)50)24-9-11-28-38(4,5)29(14-15-39(28,6)23(24)12-16-40(22,41)7)53-36-34(30(45)26(44)19-51-36)54-35-33(48)32(47)31(46)27(18-42)52-35/h21-22,25-36,42-48H,1,8-19H2,2-7H3,(H,49,50)/t21-,22-,25+,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,39-,40-,41+/m1/s1
InChIKey: InChIKey=HSXZXSLEFVPQQT-RPFQCXLLSA-N
Formula: C41H66O13
Molecular Weight: 766.956526
Exact Mass: 766.450342
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) | 26.8 |
| 3 (CH) | 88.4 |
| 4 (C) | 39.4 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 27.9 |
| 8 (C) | 128 |
| 9 (C) | 139.8 |
| 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) | 51.1 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.6 |
| 20 (CH) | 36.4 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 32.4 |
| 23 (CH2) | 32.5 |
| 24 (CH) | 75.9 |
| 25 (C) | 149.7 |
| 26 (CH2) | 110.2 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.2 |
| 1' (CH) | 104.6 |
| 2' (CH) | 81.3 |
| 3' (CH) | 73.2 |
| 4' (CH) | 68 |
| 5' (CH2) | 64.7 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 75 |
| 4'' (CH) | 69.4 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 61.1 |
