Spektraris NMR
3-β,6-α,16-β-trihydroxy 9,19-cyclolanost-24-ene-3β,16β-diglucopyranoside
Common Name: 3-β,6-α,16-β-trihydroxy 9,19-cyclolanost-24-ene-3β,16β-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-IOSWPJGYSA-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) | 32.56 |
| 2 (CH2) | 30.37 |
| 3 (CH) | 89.17 |
| 4 (C) | 42.71 |
| 5 (CH) | 54.1 |
| 6 (CH) | 67.99 |
| 7 (CH2) | 38.5 |
| 8 (CH) | 46.98 |
| 9 (C) | 21.27 |
| 10 (C) | 29.34 |
| 11 (CH2) | 26.36 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.76 |
| 14 (C) | 46.95 |
| 15 (CH2) | 48.16 |
| 16 (CH) | 82.57 |
| 17 (CH) | 57.01 |
| 18 (CH3) | 19.12 |
| 19 (CH2) | 30.29 |
| 20 (CH) | 30.44 |
| 21 (CH3) | 17.93 |
| 22 (CH2) | 37.06 |
| 23 (CH2) | 25.78 |
| 24 (CH) | 126.86 |
| 25 (C) | 130.01 |
| 26 (CH3) | 25.94 |
| 27 (CH3) | 17.93 |
| 28 (CH3) | 29.08 |
| 29 (CH3) | 16.84 |
| 30 (CH3) | 20.4 |
| 1' (CH) | 106.7 |
| 2' (CH) | 75.52 |
| 3' (CH) | 78.38 |
| 4' (CH) | 71.49 |
| 5' (CH) | 77.79 |
| 6' (CH2) | 62.67 |
| 1'' (CH) | 106.53 |
| 2'' (CH) | 75.28 |
| 3'' (CH) | 78.33 |
| 4'' (CH) | 71.49 |
| 5'' (CH) | 77.74 |
| 6'' (CH2) | 62.64 |
