Cas no 155762-41-7 ((2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol)

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol structure
155762-41-7 structure
Product Name:(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CAS No:155762-41-7
MF:C54H88O23
MW:1105.26274013519
CID:144050
PubChem ID:101917118
Update Time:2024-02-29

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Chemical and Physical Properties

Names and Identifiers

    • b-D-Galactopyranoside, (3b,4a,16b)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-b-D-glucopyra...
    • (3beta,13xi,16beta,17xi)-16,23-dihydroxy-13,2
    • 3-O-((beta-D-Glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-(beta-D-glucopyranosyl-(1-2))-beta-D-fucopyranosyl)-13beta,28-epoxyolea-11-ene-3beta,16beta,23-triol
    • 4)-b-D-glucopyranosyl-(1&reg
    • b-D-Galactopyranoside, (3b,4a,16b)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-b-D-glucopyranosyl-(1&reg
    • beta-D-Galactopyranoside, (3-beta,4alpha,16beta)-13,28-epoxy-16,23-dihydroxyolean-11-en-3-yl O-beta-D-glucopyranosyl-(1-2)-O-(O-beta-D-glucopyranosyl-(1-4)-beta-D-glucopyranosyl-(1-3))-6-deoxy-
    • Clinopodiside B
    • Songarosaponin D
    • (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R
    • 3-O-((beta-D-glucopyranosyl-(1-->4)-beta-D-glucopyranosyl-(1-->3)-)- (beta-D-glucopyranosyl-(1-->2))-beta-D-fucopyranosyl)-13 beta,28-++ +epoxy-olea-11-ene-3 beta,16 beta,23-triol
    • SC9P3ZVQ4T
    • UNII-SC9P3ZVQ4T
    • 155762-41-7
    • (3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GLUCOPYRANOSYL-(1->3))-6-DEOXY-.BETA.-D-GALACTOPYRANOSIDE
    • .BETA.-D-GALACTOPYRANOSIDE, (3.BETA.,4.ALPHA.,16.BETA.)-13,28-EPOXY-16,23-DIHYDROXYOLEAN-11-EN-3-YL O-.BETA.-D-GLUCOPYRANOSYL-(1->2)-O-(O-.BETA.-D-GLUCOPYRANOSYL-(1->4)-.BETA.-D-GLUCOPYRANOSYL-(1->3))-6-DEOXY-
    • (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
    • Inchi： 1S/C54H88O23/c1-23-32(60)42(76-46-40(68)37(65)41(26(20-57)73-46)75-44-38(66)35(63)33(61)24(18-55)71-44)43(77-45-39(67)36(64)34(62)25(19-56)72-45)47(70-23)74-31-10-11-49(4)27(50(31,5)21-58)8-12-51(6)28(49)9-13-54-29-16-48(2,3)14-15-53(29,22-69-54)30(59)17-52(51,54)7/h9,13,23-47,55-68H,8,10-12,14-22H2,1-7H3/t23-,24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,39-,40-,41-,42+,43-,44+,45+,46+,47+,49+,50+,51-,52+,53?,54?/m1/s1
    • InChI Key： OSGFJRKJEPQTRB-VQCUNJLYSA-N
    • SMILES： O1CC23CCC(C)(C)C[C@H]2C21C=C[C@@H]1[C@@]4(C)CC[C@@H]([C@@](C)(CO)[C@@H]4CC[C@@]1(C)[C@]2(C)C[C@@H]3O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](C)O1)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O

Computed Properties

  • Exact Mass: 1104.572
  • Monoisotopic Mass: 1104.572
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 14
  • Hydrogen Bond Acceptor Count: 23
  • Heavy Atom Count: 77
  • Rotatable Bond Count: 12
  • Complexity: 2120
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 29
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 366
  • XLogP3: -1.2

Experimental Properties

  • Density: 1.49
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.645

(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Related Literature

Related Categories

155762-41-7 ((2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-[(2R,3R,4S,5S,6R)-5-hydroxy-2-[[(2S,4S,5R,8R,9R,10S,13S,14R,18R)-2-hydroxy-9-(hydroxymethyl)-4,5,9,13,20,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-10-yl]oxy]-6-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol) Related Products

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