Spektraris NMR
Eryloside M
Common Name: Eryloside M
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H76O16/c1-22(2)23(3)9-10-24(4)25-14-18-47(43(56)57)27-11-12-31-44(5,6)32(15-16-45(31,7)26(27)13-17-46(25,47)8)61-42-39(63-41-37(55)35(53)34(52)30(19-48)60-41)38(29(50)21-59-42)62-40-36(54)33(51)28(49)20-58-40/h22,24-25,28-42,48-55H,3,9-21H2,1-2,4-8H3,(H,56,57)/t24-,25-,28+,29+,30-,31+,32+,33+,34+,35+,36-,37-,38+,39-,40+,41+,42+,45-,46-,47+/m1/s1
InChIKey: InChIKey=CRBYRKDOOXCMIM-JILXYINSSA-N
Formula: C47H76O16
Molecular Weight: 897.098563
Exact Mass: 896.513336
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) | 88.5 |
| 4 (C) | 39.6 |
| 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) | 19.6 |
| 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) | 21.9 |
| 28 (CH3) | 27.6 |
| 29 (CH3) | 16.4 |
| 30 (C) | 178.2 |
| 1' (CH) | 104.9 |
| 2' (CH) | 77 |
| 3' (CH) | 81.3 |
| 4' (CH) | 68 |
| 5' (CH2) | 65.1 |
| 1'' (CH) | 105 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 75.3 |
| 4'' (CH) | 69.5 |
| 5'' (CH) | 76.1 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 104.7 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 74.2 |
| 4''' (CH) | 69 |
| 5''' (CH2) | 66.2 |
| 24a (CH2) | 106.4 |
