Cas no 143120-88-1 (Cevan-6-one, 3-(b-D-glucopyranosyloxy)-20-hydroxy-,(3b,5a,17b,22b)- (9CI))

Cevan-6-one, 3-(b-D-glucopyranosyloxy)-20-hydroxy-,(3b,5a,17b,22b)- (9CI) structure
143120-88-1 structure
Product Name:Cevan-6-one, 3-(b-D-glucopyranosyloxy)-20-hydroxy-,(3b,5a,17b,22b)- (9CI)
CAS No:143120-88-1
MF:C33H53NO8
MW:591.775830984116
CID:148619
PubChem ID:132538
Update Time:2025-04-19

Cevan-6-one, 3-(b-D-glucopyranosyloxy)-20-hydroxy-,(3b,5a,17b,22b)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cevan-6-one, 3-(b-D-glucopyranosyloxy)-20-hydroxy-,(3b,5a,17b,22b)- (9CI)
    • Hupehemonoside
    • (3beta,5alpha,17beta)-20-hydroxy-6-oxocevan-3-yl beta-D-glucopyranoside
    • 5alpha,14alpha,17beta,22beta-Cevanine-20beta-hydroxyl-3beta-O-beta-D-glucoside
    • Cevan-6-one, 3-(beta-D-glucopyranosyloxy)-20-hydroxy-, (3beta,5alpha,17beta,22beta)-
    • 67968-40-5
    • E80769
    • MFCD09701191
    • Imperialine 3-
    • CHEMBL3787024
    • AKOS003673941
    • (1R,2S,6S,9S,10S,11R,14S,15S,18S,20S,23R,24S)-10-hydroxy-6,10,23-trimethyl-20-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosan-17-one
    • Sipeimine-3-beta-D-glucoside
    • BDBM50270728
    • IMPERIALINE .BETA.-D-GLUCOSIDE [MI]
    • Q27268047
    • HY-107271
    • A-D-glucoside
    • CEVAN-6-ONE, 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-20-HYDROXY-, (3.BETA.,5.ALPHA.,17.BETA.)-
    • 20-hydroxy-6-oxocevan-3-yl hexopyranoside
    • IMPERIALINE 3-.BETA.-D-GLUCOSIDE
    • Imperialine 3-b-D-glucoside
    • Cevan-6-one, 3-(beta-D-glucopyranosyloxy)-20-hydroxy-, (3beta,5alpha,17beta)-
    • Imperialine beta-D-glucoside [MI]
    • UNII-7C55W6L69V
    • Imperialine 3-??-D-glucoside
    • CS-0027834
    • 143120-88-1
    • Zhebeinonoside
    • 7C55W6L69V
    • Glucoimperialine
    • MS-30533
    • Imperialine 3-beta-D-glucoside
    • DTXSID90931753
    • Inchi： 1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
    • InChI Key： DHQFYEJMFMYGCV-DLJWJMOOSA-N
    • SMILES： O[C@]1(C)[C@@H]2CC[C@H](C)CN2C[C@@H]2[C@H]1CC[C@H]1[C@@H]3CC([C@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H]12)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)=O

Computed Properties

  • Exact Mass: 591.37711765g/mol
  • Monoisotopic Mass: 591.37711765g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 3
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 17
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.3
  • Topological Polar Surface Area: 140?2

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