Spektraris NMR
sapimukoside G
Common Name: sapimukoside G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H86O20/c1-23(2)18-25-19-26(45(64-9)68-25)27-12-16-53(8)29-10-11-33-50(4,5)34(14-15-51(33,6)28(29)13-17-52(27,53)7)70-49-44(43(38(60)32(20-54)69-49)72-47-40(62)37(59)31(56)22-66-47)73-48-41(63)42(35(57)24(3)67-48)71-46-39(61)36(58)30(55)21-65-46/h10,18,24-28,30-49,54-63H,11-17,19-22H2,1-9H3/t24-,25-,26-,27-,28-,30+,31-,32+,33-,34-,35-,36-,37-,38+,39+,40+,41+,42+,43-,44+,45-,46-,47-,48-,49-,51+,52-,53+/m0/s1
InChIKey: InChIKey=MXFUWJQZQGWIOY-FETLVNPKSA-N
Formula: C53H86O20
Molecular Weight: 1043.240006
Exact Mass: 1042.571245
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ni, W., Hua, Y., Liu, H.Y., Teng, R.W., Kong, Y.C., Hu, X.Y., Chen, C.X. Chem Pharm Bull (2006) 54, 1443-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Tirucallanes; 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) | 37.4 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 89.4 |
| 4 (C) | 39.7 |
| 5 (CH) | 51.9 |
| 6 (CH2) | 24.3 |
| 7 (CH) | 118.7 |
| 8 (C) | 145.8 |
| 9 (CH) | 48.9 |
| 10 (C) | 35 |
| 11 (CH2) | 18.1 |
| 12 (CH2) | 32.7 |
| 13 (C) | 44.2 |
| 14 (C) | 51.9 |
| 15 (CH2) | 34.3 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 49.2 |
| 18 (CH3) | 23 |
| 19 (CH3) | 13.4 |
| 20 (CH) | 48.9 |
| 21 (CH) | 108.7 |
| 22 (CH2) | 37.7 |
| 23 (CH) | 75.7 |
| 24 (CH) | 129.3 |
| 25 (C) | 133.5 |
| 26 (CH3) | 18 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 27.4 |
| 1' (CH) | 105.2 |
| 2' (CH) | 76.2 |
| 3' (CH) | 88.6 |
| 4' (CH) | 70 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.7 |
| 1'' (CH) | 101.4 |
| 2'' (CH) | 72.2 |
| 3'' (CH) | 82.4 |
| 4'' (CH) | 72.4 |
| 5'' (CH) | 69.6 |
| 6'' (CH3) | 18.6 |
| 1''' (CH) | 105 |
| 2''' (CH) | 73 |
| 3''' (CH) | 74.5 |
| 4''' (CH) | 69.4 |
| 5''' (CH2) | 67.8 |
| 1'''' (CH) | 107.5 |
| 2'''' (CH) | 75.7 |
| 3'''' (CH) | 78.5 |
| 4'''' (CH) | 71.2 |
| 5'''' (CH2) | 67.4 |
| 21a (CH3) | 54.9 |
