Spektraris NMR
Eryloside F1
Common Name: Eryloside F1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H68O12/c1-21(2)22(3)9-10-23(4)24-14-18-42(38(49)50)26-11-12-29-39(5,6)30(15-16-40(29,7)25(26)13-17-41(24,42)8)53-37-35(31(45)27(44)20-51-37)54-36-34(48)33(47)32(46)28(19-43)52-36/h21,23-24,27-37,43-48H,3,9-20H2,1-2,4-8H3,(H,49,50)/t23-,24-,27+,28-,29+,30+,31+,32+,33+,34-,35-,36+,37+,40-,41-,42+/m1/s1
InChIKey: InChIKey=SXNHMSNSEXAENW-RUQGLPSMSA-N
Formula: C42H68O12
Molecular Weight: 764.983738
Exact Mass: 764.471078
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) | 50.1 |
| 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) | 47 |
| 14 (C) | 62.8 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 29.5 |
| 17 (CH) | 51 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 19.6 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.4 |
| 24 (C) | 156.4 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.7 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.3 |
| 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 |
| 24a (CH2) | 106.4 |
