Spektraris NMR
Glycoside St-J1
Common Name: Glycoside St-J1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C60H96O28/c1-23-32(63)35(66)41(72)50(80-23)85-45-27(21-62)82-49(44(75)40(45)71)79-22-28-34(65)37(68)43(74)52(83-28)88-54(78)60-17-15-55(2,3)19-25(60)24-9-10-30-57(6)13-12-31(56(4,5)29(57)11-14-59(30,8)58(24,7)16-18-60)84-53-47(39(70)38(69)46(86-53)48(76)77)87-51-42(73)36(67)33(64)26(20-61)81-51/h9,23,25-47,49-53,61-75H,10-22H2,1-8H3,(H,76,77)/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33-,34+,35+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,46-,47+,49+,50-,51-,52-,53+,57-,58+,59+,60-/m0/s1
InChIKey: InChIKey=MVOFKYCQJKTMLF-BENXLUOASA-N
Formula: C60H96O28
Molecular Weight: 1265.389804
Exact Mass: 1264.608813
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Strigunov, V.S., Grishkovets, V.I., Shashkov, A.S., Kachala, V.V., Tolkacheva, N.V. Chem Nat Compd (2004) 40, 35-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 38.6 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 89 |
| 4 (C) | 39.5 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40 |
| 9 (C) | 48.2 |
| 10 (C) | 37 |
| 11 (CH2) | 23.8 |
| 12 (CH) | 122.7 |
| 13 (C) | 144.1 |
| 14 (C) | 42.1 |
| 15 (CH2) | 28.4 |
| 16 (CH2) | 23.6 |
| 17 (C) | 47.2 |
| 18 (CH) | 41.6 |
| 19 (CH2) | 46.4 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34.1 |
| 22 (CH2) | 32.6 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.7 |
| 25 (CH3) | 15.5 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 25.9 |
| 28 (C) | 176.5 |
| 29 (CH3) | 33 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 107.1 |
| 2' (CH) | 83.6 |
| 3' (CH) | 76.9 |
| 4' (CH) | 72.8 |
| 5' (CH) | 74.9 |
| 6' (C) | 170.2 |
| 1'' (CH) | 105.2 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 69.4 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 95.4 |
| 2''' (CH) | 73.7 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 70.9 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 69.2 |
| 1'''' (CH) | 104.4 |
| 2'''' (CH) | 74.9 |
| 3'''' (CH) | 76.5 |
| 4'''' (CH) | 78.4 |
| 5'''' (CH) | 77 |
| 6'''' (CH2) | 61.4 |
| 1''''' (CH) | 102.7 |
| 2''''' (CH) | 72.4 |
| 3''''' (CH) | 72.5 |
| 4''''' (CH) | 73.9 |
| 5''''' (CH) | 70.3 |
| 6''''' (CH3) | 18.3 |
