Cas no 96157-96-9 (sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside)

sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside structure
96157-96-9 structure
Product Name:sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside
CAS No:96157-96-9
MF:C54H88O25S
MW:1169.32653903961
CID:1986455
PubChem ID:23665004
Update Time:2025-04-21

sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside Chemical and Physical Properties

Names and Identifiers

    • sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside
    • Lanost-9(11)-en-18-oic acid, 12,20-dihydroxy-3-((O-3-O-methyl-beta-D-glucopyranosyl-(1-3)-O-beta-D-glucopyranosyl-(1-4)-O-6-deoxy-beta-D-glucopyranosyl-(1-2)-4-O-sulfo-beta-D-xylopyranosyl)oxy)-, gamma-lactone, monosodium salt, (3beta,12alpha)-
    • 96157-96-9
    • Inchi： 1S/C54H88O25S/c1-23(2)11-10-16-53(8)31-14-18-52(7)25-12-13-30-50(4,5)33(15-17-51(30,6)26(25)19-32(57)54(31,52)49(65)78-53)74-48-44(36(60)29(22-70-48)79-80(66,67)68)77-45-38(62)37(61)41(24(3)71-45)75-47-40(64)43(35(59)28(21-56)73-47)76-46-39(63)42(69-9)34(58)27(20-55)72-46/h19,23-25,27-48,55-64H,10-18,20-22H2,1-9H3,(H,66,67,68)/t24-,25+,27+,28-,29+,30-,31+,32+,33-,34+,35+,36+,37-,38+,39+,40+,41-,42-,43+,44+,45+,46+,47+,48-,51+,52-,53-,54-/m1/s1
    • InChI Key： FMQJIWOTKWVBDM-STOXOFDASA-N
    • SMILES： C1[C@H](O)[C@@]23C(=O)O[C@](C)(CCCC(C)C)[C@@H]2CC[C@]3(C)[C@H]2CC[C@@H]3C(C)(C)[C@H](O[C@@H]4[C@@H](O[C@H]5[C@@H](O)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@@H](CO)[C@H](O)[C@@H](OC)[C@@H]7O)[C@@H]6O)[C@@H](C)O5)[C@@H](O)[C@@H](OS(O)(=O)=O)CO4)CC[C@]3(C=12)C

Computed Properties

  • Exact Mass: 1190.515484
  • Monoisotopic Mass: 1190.515484
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 10
  • Hydrogen Bond Acceptor Count: 25
  • Heavy Atom Count: 81
  • Rotatable Bond Count: 17
  • Complexity: 2330
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 28
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 387
  • XLogP3: 0.148999999999997

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C

sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside Related Literature

Related Categories

96157-96-9 (sodium 12-hydroxy-18-oxo-18,20-epoxylanost-7-en-3-yl 3-O-methylhexopyranosyl-(1->3)hexopyranosyl-(1->4)-6-deoxyhexopyranosyl-(1->2)-4-O-sulfonatopentopyranoside) Related Products

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