Spektraris NMR
(2α,3β,25R)-2,17-Dihydroxyspirost-5-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside
![(2α,3β,25R)-2,17-Dihydroxyspirost-5-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside](/nmr/static/nmr/svg/11575.svg)
Common Name: (2α,3β,25R)-2,17-Dihydroxyspirost-5-en-3-yl β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C50H80O24/c1-19-7-10-49(66-17-19)20(2)50(64)31(74-49)12-24-22-6-5-21-11-27(25(54)13-47(21,3)23(22)8-9-48(24,50)4)67-44-39(63)36(60)40(30(16-53)70-44)71-46-42(73-45-38(62)35(59)33(57)28(14-51)68-45)41(34(58)29(15-52)69-46)72-43-37(61)32(56)26(55)18-65-43/h5,19-20,22-46,51-64H,6-18H2,1-4H3/t19-,20-,22-,23+,24+,25-,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39-,40+,41+,42-,43+,44-,45+,46+,47+,48+,49-,50-/m1/s1
InChIKey: InChIKey=JLNDSXHXXHCLHZ-YRBXTQJASA-N
Formula: C50H80O24
Molecular Weight: 1065.157773
Exact Mass: 1064.503953
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mimaki, Y., Watanabe, K., Ando, Y., Sakuma, C., Sashida, Y., Furuya, S., Sakagami, H. J Nat Prod (2001) 64, 17-22
Species:
Notes: Family : Steroids, Type : Spirostanes; 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) | 45.7 |
| 2 (CH) | 70 |
| 3 (CH) | 84.6 |
| 4 (CH2) | 37.6 |
| 5 (C) | 140.1 |
| 6 (CH) | 121.9 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 32 |
| 9 (CH) | 50.1 |
| 10 (C) | 37.9 |
| 11 (CH2) | 21 |
| 12 (CH2) | 32.1 |
| 13 (C) | 45.1 |
| 14 (CH) | 52.9 |
| 15 (CH2) | 31.7 |
| 16 (CH) | 90 |
| 17 (C) | 90.1 |
| 18 (CH3) | 17.1 |
| 19 (CH3) | 20.5 |
| 20 (CH) | 44.8 |
| 21 (CH3) | 9.8 |
| 22 (C) | 109.8 |
| 23 (CH2) | 31.7 |
| 24 (CH2) | 28.8 |
| 25 (CH) | 30.4 |
| 26 (CH2) | 66.7 |
| 27 (CH3) | 17.3 |
| 1' (CH) | 103.3 |
| 2' (CH) | 72.7 |
| 3' (CH) | 75.5 |
| 4' (CH) | 79.3 |
| 5' (CH) | 75.7 |
| 6' (CH2) | 60.5 |
| 1'' (CH) | 104.7 |
| 2'' (CH) | 81.3 |
| 3'' (CH) | 87 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 77.6 |
| 6'' (CH2) | 62.9 |
| 1''' (CH) | 104.8 |
| 2''' (CH) | 76.1 |
| 3''' (CH) | 78.1 |
| 4''' (CH) | 71.3 |
| 5''' (CH) | 78.4 |
| 6''' (CH2) | 62.7 |
| 1'''' (CH) | 104.9 |
| 2'''' (CH) | 75.1 |
| 3'''' (CH) | 78.7 |
| 4'''' (CH) | 70.8 |
| 5'''' (CH2) | 67.3 |
