Spektraris NMR
3b, 12a, 25, 30-Tetrahydroxy-14R, 17S, 20R, 24S-diepoxy-malabaricane-3-O-b-glucopyranoside
Common Name: 3b, 12a, 25, 30-Tetrahydroxy-14R, 17S, 20R, 24S-diepoxy-malabaricane-3-O-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H62O11/c1-31(2)21-8-15-36(18-38)22(33(21,5)12-9-23(31)45-30-28(42)27(41)26(40)20(17-37)44-30)16-19(39)29(36)35(7)14-11-25(47-35)34(6)13-10-24(46-34)32(3,4)43/h19-30,37-43H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25-,26+,27-,28+,29-,30-,33-,34-,35-,36-/m0/s1
InChIKey: InChIKey=MWXVMMQNIINAKK-XHOZHEEYSA-N
Formula: C36H62O11
Molecular Weight: 670.872273
Exact Mass: 670.429213
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Faini, F., Castillo, M., Torres, R., Dellemonache, G., Gacsbaitz, E. Phytochemistry (1995) 40, 885-90
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Malabaricanes; 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) | 39.4 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 89.9 |
| 4 (C) | 40 |
| 5 (CH) | 57.4 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 38.3 |
| 8 (C) | 50.2 |
| 9 (CH) | 62.2 |
| 10 (C) | 37 |
| 11 (CH2) | 33.3 |
| 12 (CH) | 72.8 |
| 13 (CH) | 62.5 |
| 14 (C) | 87.2 |
| 15 (CH2) | 37.1 |
| 16 (CH2) | 25.1 |
| 17 (CH) | 84.3 |
| 18 (CH3) | 26.4 |
| 19 (CH3) | 16.5 |
| 20 (C) | 84 |
| 21 (CH2) | 25.3 |
| 22 (CH2) | 35 |
| 23 (CH3) | 27.3 |
| 24 (CH) | 86.1 |
| 25 (C) | 62.5 |
| 26 (CH3) | 87.2 |
| 27 (CH3) | 37.1 |
| 28 (CH3) | 25.1 |
| 29 (CH3) | 84.3 |
| 30 (CH2) | 26.4 |
| 1' (CH) | 16.5 |
| 2' (CH) | 84 |
| 3' (CH) | 25.3 |
| 4' (CH) | 35 |
| 5' (CH) | 27.3 |
| 6' (CH2) | 86.1 |
