Spektraris NMR
Eryloside R
Common Name: Eryloside R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H64O9/c1-21(12-18-37(9,45)33(2,3)4)22-14-19-38(32(43)44)24-10-11-26-34(5,6)27(15-16-35(26,7)23(24)13-17-36(22,38)8)47-31-30(42)29(41)28(40)25(20-39)46-31/h21-22,25-31,39-42,45H,10-20H2,1-9H3,(H,43,44)/t21-,22-,25-,26+,27+,28+,29+,30-,31+,35-,36-,37?,38+/m1/s1
InChIKey: InChIKey=NXKGSQRELSNVBS-HJKMVIHXSA-N
Formula: C38H64O9
Molecular Weight: 664.910817
Exact Mass: 664.455034
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) | 35.5 |
| 2 (CH2) | 27 |
| 3 (CH) | 88.3 |
| 4 (C) | 39.4 |
| 5 (CH) | 50.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 27.9 |
| 8 (C) | 127.9 |
| 9 (C) | 139.8 |
| 10 (C) | 37.4 |
| 11 (CH2) | 22.5 |
| 12 (CH2) | 31.7 |
| 13 (C) | 46.9 |
| 14 (C) | 62.7 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.6 |
| 17 (CH) | 51.7 |
| 18 (CH3) | 18 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 37.3 |
| 21 (CH3) | 18.8 |
| 22 (CH2) | 30.4 |
| 23 (CH2) | 33.4 |
| 24 (C) | 75.2 |
| 25 (C) | 38.5 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 16.7 |
| 30 (C) | 178.2 |
| 1' (CH) | 107.4 |
| 2' (CH) | 72.9 |
| 3' (CH) | 75.2 |
| 4' (CH) | 70.1 |
| 5' (CH) | 76.5 |
| 6' (CH2) | 62.3 |
| 24a (CH3) | 21 |
| 25a (CH3) | 25.7 |
