(3β,12α,20R)-12,17-Dihydroxy-4,4-dimethyl-18-oxo-18,20-epoxycholest-7-en-3-yl 3-O-methyl-β-D-glucopyranosyl-(1->3)-β-D-glucopyranosyl-(1->4)-6-deoxy-β-D-glucopyranosyl-(1->2)-β-D-xy lopyranoside

More details:

• Systematic name

  (3beta,12alpha,20R)-12,17-Dihydroxy-4,4-dimethyl-18-oxo-18,20-epoxycholest-7-en-3-yl 3-O-methyl-beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-6-deoxy-beta-D-glucopyranosyl-(1->2)-beta-D-xy lopyranoside

• SMILES

  O=C1O[C@](C)(CCCC(C)C)[C@]9(O)[C@]18[C@@H](O)C[C@H]2/C(=C\CC7[C@]2(C)CC[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O[C@@H]5O[C@H](C)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]3O)[C@H]4O)[C@H](O)[C@H]5O)C7(C)C)[C@@H]8CC9

• Std. InChi

  InChI=1S/C53H86O23/c1-22(2)10-9-15-51(7)52(66)17-13-25-24-11-12-30-49(4,5)32(14-16-50(30,6)26(24)18-31(57)53(25,52)48(65)76-51)72-47-43(33(58)27(56)21-68-47)75-44-37(62)36(61)40(23(3)69-44)73-46-39(64)42(35(60)29(20-55)71-46)74-45-38(63)41(67-8)34(59)28(19-54)70-45/h11,22-23,25-47,54-64,66H,9-10,12-21H2,1-8H3/t23-,25+,26+,27-,28-,29-,30?,31+,32+,33+,34-,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45+,46+,47+,50-,51-,52+,53-/m1/s1

• Std. InChIKey

  QNPYNYKOYNNPQO-MCYABKMPSA-N

• Cite this record

  CSID:9258821, http://www.chemspider.com/Chemical-Structure.9258821.html (accessed 12:41, Apr 25, 2024)