Spektraris NMR
Eryloside S
Common Name: Eryloside S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H64O10/c1-21(2)38(9,49-23(4)41)18-12-22(3)24-14-19-39(34(45)46)26-10-11-28-35(5,6)29(15-16-36(28,7)25(26)13-17-37(24,39)8)48-33-32(44)31(43)30(42)27(20-40)47-33/h21-22,24,27-33,40,42-44H,10-20H2,1-9H3,(H,45,46)/t22-,24-,27-,28+,29+,30+,31+,32-,33+,36-,37-,38?,39+/m1/s1
InChIKey: InChIKey=GINBFIKPQCMDIA-WUXZYLDNSA-N
Formula: C39H64O10
Molecular Weight: 692.920958
Exact Mass: 692.449948
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) | 27.1 |
| 3 (CH) | 88.3 |
| 4 (C) | 39.4 |
| 5 (CH) | 50.3 |
| 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) | 31.6 |
| 13 (C) | 46.9 |
| 14 (C) | 62.8 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 29.6 |
| 17 (CH) | 51 |
| 18 (CH3) | 17.8 |
| 19 (CH3) | 19.7 |
| 20 (CH) | 36.9 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 29.5 |
| 23 (CH2) | 32.6 |
| 24 (C) | 87.4 |
| 25 (CH) | 34 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 16.9 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.6 |
| 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) | 19.8 |
| 24b (C) | 170 |
| 24c (CH3) | 21.8 |
