Spektraris NMR
3 β, 6 β, 16 β trihydroxy 9, 19 cyclolanost -24-ene 3 β, 16 β diglucopyranoside
Common Name: 3 β, 6 β, 16 β trihydroxy 9, 19 cyclolanost -24-ene 3 β, 16 β diglucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C42H70O13/c1-20(2)9-8-10-21(3)28-23(52-36-33(50)31(48)29(46)24(17-43)53-36)16-40(7)26-15-22(45)35-38(4,5)27(55-37-34(51)32(49)30(47)25(18-44)54-37)11-12-42(35)19-41(26,42)14-13-39(28,40)6/h9,21-37,43-51H,8,10-19H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28+,29+,30-,31-,32+,33+,34-,35+,36+,37+,39-,40+,41+,42-/m1/s1
InChIKey: InChIKey=ORMWDCOETYURCM-ZGWOPCNOSA-N
Formula: C42H70O13
Molecular Weight: 782.999025
Exact Mass: 782.481642
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Verotta, L., Orsini, F., Tato, M., El-Sebakhy, N.A., Toaima, S.M. Phytochemistry (1998) 49, 845-52
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) | 32.73 |
| 2 (CH2) | 29.7 |
| 3 (CH) | 99.05 |
| 4 (C) | 41.63 |
| 5 (CH) | 49.58 |
| 6 (CH) | 65.8 |
| 7 (CH2) | 34.86 |
| 8 (CH) | 49.58 |
| 9 (C) | 19.2 |
| 10 (C) | 24.2 |
| 11 (CH2) | 26.06 |
| 12 (CH2) | 32.91 |
| 13 (C) | 43.9 |
| 14 (C) | 46.7 |
| 15 (CH2) | 48.67 |
| 16 (CH) | 82.21 |
| 17 (CH) | 57.05 |
| 18 (CH3) | 19.67 |
| 19 (CH2) | 32.6 |
| 20 (CH) | 30 |
| 21 (CH3) | 17.51 |
| 22 (CH2) | 36.75 |
| 23 (CH2) | 25.34 |
| 24 (CH) | 126.66 |
| 25 (C) | 129.89 |
| 26 (CH3) | 25.59 |
| 27 (CH3) | 17.51 |
| 28 (CH3) | 24.64 |
| 29 (CH3) | 16.69 |
| 30 (CH3) | 20.64 |
| 1' (CH) | 105.56 |
| 2' (CH) | 75.47 |
| 3' (CH) | 78.42 |
| 4' (CH) | 71.58 |
| 5' (CH) | 78.02 |
| 6' (CH2) | 62.71 |
| 1'' (CH) | 106.56 |
| 2'' (CH) | 75.28 |
| 3'' (CH) | 78.17 |
| 4'' (CH) | 71.82 |
| 5'' (CH) | 77.73 |
| 6'' (CH2) | 62.9 |
