Spektraris NMR
Glycoside St-K1
Common Name: Glycoside St-K1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C65H104O32/c1-24-34(69)38(73)43(78)54(87-24)93-48-29(22-68)90-53(46(81)41(48)76)86-23-30-37(72)40(75)45(80)57(91-30)97-59(85)65-17-15-60(2,3)19-26(65)25-9-10-32-62(6)13-12-33(61(4,5)31(62)11-14-64(32,8)63(25,7)16-18-65)92-58-50(95-56-44(79)39(74)35(70)27(20-66)88-56)47(82)49(51(96-58)52(83)84)94-55-42(77)36(71)28(21-67)89-55/h9,24,26-51,53-58,66-82H,10-23H2,1-8H3,(H,83,84)/t24-,26-,27+,28-,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+,45+,46+,47-,48+,49-,50+,51-,53+,54-,55-,56-,57-,58+,62-,63+,64+,65-/m0/s1
InChIKey: InChIKey=DCHDTFKNFKKDOJ-WZCSJZNUSA-N
Formula: C65H104O32
Molecular Weight: 1397.504629
Exact Mass: 1396.651071
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) | 38.4 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89.2 |
| 4 (C) | 39.6 |
| 5 (C) | 55.8 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.2 |
| 8 (C) | 40.1 |
| 9 (C) | 48 |
| 10 (C) | 37.1 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.7 |
| 13 (C) | 144.2 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.5 |
| 17 (C) | 47.1 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 46.3 |
| 20 (C) | 30.7 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.5 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 17.5 |
| 27 (CH3) | 26.1 |
| 28 (C) | 176.6 |
| 29 (CH3) | 32.9 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 105 |
| 2' (CH) | 83.1 |
| 3' (CH) | 75.6 |
| 4' (CH) | 76.4 |
| 5' (CH) | 76.9 |
| 6' (C) | 170.3 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 74.4 |
| 3'' (CH) | 74.9 |
| 4'' (CH) | 69.5 |
| 5'' (CH) | 76.9 |
| 6'' (CH2) | 63 |
| 1''' (CH) | 108.7 |
| 2''' (CH) | 82.6 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 87.4 |
| 5''' (CH2) | 62.6 |
| 1'''' (CH) | 95.7 |
| 2'''' (CH) | 73.9 |
| 3'''' (CH) | 78.6 |
| 4'''' (CH) | 71 |
| 5'''' (CH) | 77.9 |
| 6'''' (CH2) | 69.4 |
| 1''''' (CH) | 104.5 |
| 2''''' (CH) | 75 |
| 3''''' (CH) | 76.4 |
| 4''''' (CH) | 78.4 |
| 5''''' (CH) | 76.9 |
| 6''''' (CH2) | 61.5 |
| 1'''''' (CH) | 102.7 |
| 2'''''' (CH) | 72.5 |
| 3'''''' (CH) | 72.7 |
| 4'''''' (CH) | 74.1 |
| 5'''''' (CH) | 70.3 |
| 6'''''' (CH3) | 18.2 |
