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Substance Name: OSW 1
RN: 145075-81-6
InChIKey: MPXTYZZFIJTPPA-JOQRFCRPSA-N

Molecular Formula

  • C47-H68-O15

Molecular Weight

  • 873.039
 
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Names and Synonyms

Name of Substance

  • OSW 1

Synonyms

  • 3,16,17-Trihydroxycholest-5-en-22-one 16-O-(2-O-4-methoxybenzoylxylopyranosyl)-1-3-(2-O-acetylarabinopyranoside)
  • OSW-1

Systematic Name

  • Cholest-5-en-22-one, 16-((2-O-acetyl-3-O-(2-O-(4-methoxybenzoyl)-beta-D-xylopyranosyl)-alpha-L-arabinopyranosyl)oxy)-3,17-dihydroxy-, (3beta,16beta)-

Registry Numbers

CAS Registry Number

  • 145075-81-6

System Generated Number

  • 0145075816

Structure Descriptors

InChI

1S/C47H68O15/c1-24(2)8-15-34(50)25(3)47(55)37(21-33-31-14-11-28-20-29(49)16-18-45(28,5)32(31)17-19-46(33,47)6)60-44-41(59-26(4)48)39(36(52)23-58-44)62-43-40(38(53)35(51)22-57-43)61-42(54)27-9-12-30(56-7)13-10-27/h9-13,24-25,29,31-33,35-41,43-44,49,51-53,55H,8,14-23H2,1-7H3/t25-,29-,31+,32-,33-,35-,36+,37-,38+,39+,40-,41-,43+,44+,45+,46+,47-/m1/s1

InChIKey

MPXTYZZFIJTPPA-JOQRFCRPSA-N

Smiles

C1[C@H](CC2=CC[C@@H]3[C@H]4C[C@H]([C@@]([C@@H](C(CCC(C)C)=O)C)([C@@]4(C)CC[C@@H]3[C@@]2(C1)C)O)O[C@H]1[C@H](OC(=O)C)[C@@H](O[C@H]2[C@H](OC(c3ccc(cc3)OC)=O)[C@@H](O)[C@H](O)CO2)[C@@H](O)CO1)O