Spektraris NMR
Eryloside O
Common Name: Eryloside O
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H87NO20/c1-24(2)25(3)10-11-26(4)28-15-19-54(50(66)67)30-12-13-35-51(6,7)36(16-17-52(35,8)29(30)14-18-53(28,54)9)73-49-45(75-46-37(55-27(5)57)41(63)39(61)33(20-56)71-46)44(32(59)22-69-49)74-48-43(65)40(62)34(23-70-48)72-47-42(64)38(60)31(58)21-68-47/h24,26,28,31-49,56,58-65H,3,10-23H2,1-2,4-9H3,(H,55,57)(H,66,67)/t26-,28-,31+,32+,33-,34+,35+,36+,37-,38+,39-,40+,41-,42-,43-,44+,45-,46+,47+,48+,49+,52-,53-,54+/m1/s1
InChIKey: InChIKey=MVPBHQIYWHNLGO-VHQJFFKESA-N
Formula: C54H87N1O20
Molecular Weight: 1070.265426
Exact Mass: 1069.582144
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) | 26.9 |
| 3 (CH) | 88.8 |
| 4 (C) | 39.5 |
| 5 (CH) | 50.3 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 27.9 |
| 8 (C) | 128 |
| 9 (C) | 139.9 |
| 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) | 19.5 |
| 20 (CH) | 36.3 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 35 |
| 23 (CH2) | 31.4 |
| 24 (C) | 156.5 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 21.7 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.2 |
| 1' (CH) | 105.1 |
| 2' (CH) | 76.1 |
| 3' (CH) | 84.6 |
| 4' (CH) | 69.3 |
| 5' (CH2) | 66.4 |
| 1'' (CH) | 101.6 |
| 2'' (CH) | 57.2 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 72.9 |
| 5'' (CH) | 76.6 |
| 6'' (CH2) | 63.2 |
| 1''' (CH) | 106.2 |
| 2''' (CH) | 73.2 |
| 3''' (CH) | 74.6 |
| 4''' (CH) | 79.8 |
| 5''' (CH2) | 66.7 |
| 1'''' (CH) | 107.6 |
| 2'''' (CH) | 72.9 |
| 3'''' (CH) | 74.5 |
| 4'''' (CH) | 69.6 |
| 5'''' (CH2) | 67.4 |
| 24a (CH2) | 106.4 |
| 2''a (C) | 170.3 |
| 2''b (CH3) | 23.5 |
