Spektraris NMR
Cyclocarposide A
Common Name: Cyclocarposide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H72O15/c1-21-30(50)32(52)34(57-23(3)47)38(55-21)58-26-17-27-42(9)18-24(48)35(43(10)13-11-29(60-43)40(6,7)53)41(42,8)15-16-44(27)20-45(44)14-12-28(39(4,5)36(26)45)59-37-33(56-22(2)46)31(51)25(49)19-54-37/h21,24-38,48-53H,11-20H2,1-10H3/t21-,24-,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35-,36-,37-,38-,41+,42-,43+,44-,45+/m0/s1
InChIKey: InChIKey=UAZCIPVWBFFESL-ADDKURDRSA-N
Formula: C45H72O15
Molecular Weight: 853.045924
Exact Mass: 852.487122
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 32.04 |
| 2 (CH2) | 29.99 |
| 3 (CH) | 88.25 |
| 4 (C) | 41.95 |
| 5 (CH) | 51.95 |
| 6 (CH) | 79.75 |
| 7 (CH2) | 34.62 |
| 8 (CH) | 46.34 |
| 9 (C) | 20.66 |
| 10 (C) | 28.76 |
| 11 (CH2) | 26.41 |
| 12 (CH2) | 33.28 |
| 13 (C) | 45.03 |
| 14 (C) | 46.16 |
| 15 (CH2) | 46.74 |
| 16 (CH) | 73.36 |
| 17 (CH) | 58.32 |
| 18 (CH3) | 21.56 |
| 19 (CH2) | 30.34 |
| 20 (C) | 87.19 |
| 21 (CH3) | 28.05 |
| 22 (CH2) | 34.91 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 81.74 |
| 25 (C) | 71.3 |
| 26 (CH3) | 27.09 |
| 27 (CH3) | 28.15 |
| 28 (CH3) | 28.63 |
| 29 (CH3) | 20.21 |
| 30 (CH3) | 16.95 |
| 1' (CH) | 105.01 |
| 2' (CH) | 76.24 |
| 3' (CH) | 75.61 |
| 4' (CH) | 71.24 |
| 5' (CH2) | 67.12 |
| 1'' (CH) | 100.65 |
| 2'' (CH) | 74.34 |
| 3'' (CH) | 70.6 |
| 4'' (CH) | 73.91 |
| 5'' (CH) | 70.09 |
| 6'' (CH3) | 18.07 |
| 2'a (C) | 170.14 |
| 2'b (CH3) | 20.99 |
| 2''a (C) | 170.75 |
| 2''b (CH3) | 21.29 |
