| 2D Structure | |
| CID | 6474107 |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-6-[(1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C56H92O29/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/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,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 |
| InChI Key | UVYVLBIGDKGWPX-KUAJCENISA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C56H92O29 |
| Molecular Weight | 1229.3 |
| synonyms | ['Digitonin', '11024-24-1', 'Digitin', 'Digitonine', 'KOO5CM684H', 'NSC-23471', 'beta-D-Galactopyranoside, (2alpha,3beta,5alpha,15beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1.fwdarw.3)-O-beta-D-galactopyranosyl-(1.fwdarw.2)-O-(beta-D-xylopyranosyl-(1.fwdarw.3))-O-beta-D-glucopyranosyl-(1.fwdarw.4)-', 'DTXCID305065', 'CHEBI:27729', 'RefChem:587611', '(25R)-2alpha,15beta-dihydroxy-5alpha-spirostan-3beta-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-(beta-D-xylopyranosyl-(1->3))-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside', 'beta-D-Galactopyranoside, (2alpha,3beta,5alpha,15beta,25R)-2,15-dihydroxyspirostan-3-yl) O-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4', '234-255-6', "(2S,3R,4S,5S,6R)-2-((2S,3R,4S,5R,6R)-2-((2S,3R,4S,5R,6R)-2-((2R,3R,4R,5R,6R)-6-((1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-5-hydroxy-6-(hydroxymethyl)-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol", "(2S,3R,4S,5S,6R)-2-((2S,3R,4S,5S,6R)-2-((2S,3R,4S,5R,6R)-2-((2R,3R,4R,5R,6R)-6-((1R,2S,3S,4R,5'R,6R,7S,8R,9S,12S,13S,15R,16R,18S)-3,15-dihydroxy-5',7,9,13-tetramethylspiro(5-oxapentacyclo(10.8.0.02,9.04,8.013,18)icosane-6,2'-oxane)-16-yl)oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl)oxy-5-hydroxy-6-(hydroxymethyl)-4-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxyoxan-3-yl)oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol", 'DTXSID1025065', 'Digitogenin, glycoside', 'MFCD00077729', 'C56H92O29', 'UNII-KOO5CM684H', 'NSC23471', 'Digitonin Glycosides', 'EINECS 234-255-6', 'NSC 23471', 'BRN 0078654', 'DIGITONIN [MI]', 'Digitonin, water-soluble', 'AI3-44893', 'Digitonin - water-soluble', 'Digitonin, water-insoluble', 'Digitonin - water-insoluble', '5-19-03-00603 (Beilstein Handbook Reference)', 'Digitonin, ~50% (TLC)', 'orb1305114', 'SCHEMBL13839328', 'UVYVLBIGDKGWPX-KUAJCENISA-N', 'HY-N4000', 'MSK40067', 'EX-A14134', 'AKOS015915861', 'Digitonin, stable clear, water-soluble', 'Digitonin, Used as non-ionic detergent', 'EBC-617155', 'OD09275', 'Digitonin - stable clear, water-soluble', 'MS-32066', 'XD175329', 'XD175416', 'CS-0023339', 'NS00023538', 'D-3100', 'D-3200', 'D-3203', 'D78276', 'DigitoninDigitogenin, glycoside; KOO5CM684H; Digitonine', '(2.Alpha.,3.beta.,5.alpha.,15.beta.,16.beta.,25R)-2,15-Dihydroxyspirostan-3-yl .beta.-D-glucopyranosyl-(1->3)-.beta.-D-galactopyranosyl-(1->2)-[.beta.-D-xylopyranosyl-(1->3)]-.beta.-D-glucopyranosyl-(1->4)-.beta.-D-galactopyranoside', '(25R)-2beta,15alpha-dihydroxy-5beta,8alpha,10alpha,14beta,17beta-spirostan-3alpha-yl beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside', 'beta-D-Galactopyranoside, (2alpha,3beta,5alpha,15beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->2)-O-(beta-D-xylopyranosyl-(1->3))-O-beta-D-glucopyranosyl-(1->4)-', 'beta-D-Galactopyranoside, (2alpha,3beta,5alpha,15beta,25R)-2,15-dihydroxyspirostan-3-yl O-beta-D-glucopyranosyl-(1-3)-O-beta-D-galactopyranosyl-(1-2)-O-(beta-D-xylopyranosyl-(1-3))-O-beta-D-glucopyranosyl-(1-4)-'] |
From Pubchem