Spektraris NMR
3b, 12a, 14, 17, 25-Pentahydroxy-20R, 24S-epoxymalabaricane-3-O-b-glucopyranoside
Common Name: 3b, 12a, 14, 17, 25-Pentahydroxy-20R, 24S-epoxymalabaricane-3-O-b-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H64O11/c1-31(2)21-9-13-34(6)22(33(21,5)14-11-24(31)46-30-28(42)27(41)26(40)20(18-37)45-30)17-19(38)29(34)35(7,44)15-10-23(39)36(8)16-12-25(47-36)32(3,4)43/h19-30,37-44H,9-18H2,1-8H3/t19-,20+,21-,22+,23?,24-,25+,26+,27-,28+,29+,30-,33-,34+,35-,36-/m0/s1
InChIKey: InChIKey=KBWCXLKUIPNJBE-QLXWEHHTSA-N
Formula: C36H64O11
Molecular Weight: 672.888155
Exact Mass: 672.444863
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) | 39.3 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 89.9 |
| 4 (C) | 40 |
| 5 (CH) | 57 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 43.6 |
| 8 (C) | 45.01 |
| 9 (CH) | 61.7 |
| 10 (C) | 37 |
| 11 (CH2) | 34.3 |
| 12 (CH) | 73.7 |
| 13 (CH) | 61.8 |
| 14 (C) | 77.01 |
| 15 (CH2) | 42.8 |
| 16 (CH2) | 28.51 |
| 17 (CH) | 78.51 |
| 18 (CH3) | 26.9 |
| 19 (CH3) | 16.5 |
| 20 (C) | 87.5 |
| 21 (CH2) | 24.3 |
| 22 (CH2) | 33.8 |
| 23 (CH3) | 27.1 |
| 24 (CH) | 86.2 |
| 25 (C) | 72 |
| 26 (CH3) | 27.2 |
| 27 (CH3) | 28.2 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 107.6 |
| 2' (CH) | 76.4 |
| 3' (CH) | 78.8 |
| 4' (CH) | 72.4 |
| 5' (CH) | 79.4 |
| 6' (CH2) | 63.6 |
