Spektraris NMR
(2α,3β,15β,25R)-2,15-Dihydroxyspirost-5-en-3-yl β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside
![(2α,3β,15β,25R)-2,15-Dihydroxyspirost-5-en-3-yl β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->2)-[β-D-xylopyranosyl-(1->3)]-β-D-glucopyranosyl-(1->4)-β-D-galactopyranoside](/nmr/static/nmr/svg/11576.svg)
Common Name: (2α,3β,15β,25R)-2,15-Dihydroxyspirost-5-en-3-yl β-D-glucopyranosyl-(1->3)-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/C56H90O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h5,19-20,22-53,57-73H,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-,51+,52+,53+,54-,55+,56-/m1/s1
InChIKey: InChIKey=QNXZSNCVVMAUPA-OZYOAYBNSA-N
Formula: C56H90O29
Molecular Weight: 1227.298621
Exact Mass: 1226.556777
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) | 70.1 |
| 3 (CH) | 84.6 |
| 4 (CH2) | 37.6 |
| 5 (C) | 140.3 |
| 6 (CH) | 122 |
| 7 (CH2) | 31.6 |
| 8 (CH) | 27.5 |
| 9 (CH) | 50.5 |
| 10 (C) | 38.2 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 42.3 |
| 13 (C) | 40.6 |
| 14 (C) | 60.5 |
| 15 (CH) | 70.1 |
| 16 (CH) | 83.5 |
| 17 (CH) | 61.9 |
| 18 (CH3) | 19 |
| 19 (CH3) | 20.3 |
| 20 (CH) | 42.9 |
| 21 (CH3) | 14.7 |
| 22 (C) | 110.1 |
| 23 (CH2) | 31.4 |
| 24 (CH2) | 29.2 |
| 25 (CH) | 30.6 |
| 26 (CH2) | 67.2 |
| 27 (CH3) | 17.4 |
| 1' (CH) | 103.3 |
| 2' (CH) | 72.7 |
| 3' (CH) | 75.4 |
| 4' (CH) | 79.1 |
| 5' (CH) | 75.6 |
| 6' (CH2) | 60.6 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 80.6 |
| 3'' (CH) | 87 |
| 4'' (CH) | 70.4 |
| 5'' (CH) | 77.5 |
| 6'' (CH2) | 62.9 |
| 1''' (CH) | 104.4 |
| 2''' (CH) | 74.7 |
| 3''' (CH) | 87.8 |
| 4''' (CH) | 69.7 |
| 5''' (CH) | 77.8 |
| 6''' (CH2) | 62.4 |
| 1'''' (CH) | 105.4 |
| 2'''' (CH) | 75.6 |
| 3'''' (CH) | 78 |
| 4'''' (CH) | 71.6 |
| 5'''' (CH) | 78.4 |
| 6'''' (CH2) | 62.5 |
| 1''''' (CH) | 104.9 |
| 2''''' (CH) | 75.2 |
| 3''''' (CH) | 78.5 |
| 4''''' (CH) | 70.7 |
| 5''''' (CH2) | 67.2 |
