Spektraris NMR
Cauloside D
Common Name: Cauloside D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(53)24-8-9-30-49(4)12-11-31(73-44-38(63)33(58)26(56)20-68-44)50(5,22-55)29(49)10-13-52(30,7)51(24,6)15-17-53/h8,23,25-46,54-66H,9-22H2,1-7H3/t23-,25-,26+,27+,28+,29+,30+,31-,32-,33+,34+,35+,36-,37+,38-,39+,40+,41+,42+,43+,44-,45-,46-,49-,50-,51+,52+,53-/m0/s1
InChIKey: InChIKey=UEHILKCNLIKLEV-MGYJSQCLSA-N
Formula: C53H86O22
Molecular Weight: 1075.238816
Exact Mass: 1074.561074
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Maeda, C., Ohtani, K., Kasai, R., Yamasaki, K., Duc, N.M., Nham, N.T., Nguyen, K.Q.C. Phytochemistry (1994) 37, 1131-7
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) | 38.9 |
| 2 (CH2) | 26.1 |
| 3 (CH) | 82 |
| 4 (C) | 43.5 |
| 5 (CH) | 47.7 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 32.8 |
| 8 (C) | 40 |
| 9 (CH) | 48.2 |
| 10 (C) | 37 |
| 11 (CH2) | 23.4 |
| 12 (CH) | 123 |
| 13 (C) | 144.1 |
| 14 (C) | 42.2 |
| 15 (CH2) | 28.3 |
| 16 (CH2) | 23.9 |
| 17 (C) | 47 |
| 18 (CH) | 41.7 |
| 19 (CH2) | 46.2 |
| 20 (C) | 30.8 |
| 21 (CH2) | 34 |
| 22 (CH2) | 32.6 |
| 23 (CH2) | 64.6 |
| 24 (CH3) | 13.6 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 17.6 |
| 27 (CH3) | 26 |
| 28 (C) | 176.5 |
| 29 (CH3) | 33.1 |
| 30 (CH3) | 23.7 |
| 1' (CH) | 95.7 |
| 2' (CH) | 74 |
| 3' (CH) | 78.1 |
| 4' (CH) | 70.9 |
| 5' (CH) | 77.2 |
| 6' (CH2) | 69.2 |
| 1'' (CH) | 104.9 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 76.6 |
| 4'' (CH) | 78.8 |
| 5'' (CH) | 78.3 |
| 6'' (CH2) | 61.3 |
| 1''' (CH) | 102.8 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.8 |
| 4''' (CH) | 73.8 |
| 5''' (CH) | 70.3 |
| 6''' (CH3) | 18.5 |
| 1'''' (CH) | 106.7 |
| 2'''' (CH) | 73.1 |
| 3'''' (CH) | 74.8 |
| 4'''' (CH) | 69.6 |
| 5'''' (CH2) | 67 |
