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Substance Name: beta-D-Glucopyranosyl 22(R),28-epoxy-1alpha,3beta,24(S),28-tetrahydroxy-4alpha,14-dimethyl-9,19-cycloergostane-4-carboxylate
RN: 1392-82-1
InChIKey: KKUOJZVNLJCTPF-MLKKMGAUSA-N

Molecular Formula

  • C37-H60-O12

Molecular Weight

  • 696.869
 
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Names and Synonyms

Synonym

  • EINECS 215-730-7

Systematic Name

  • beta-D-Glucopyranosyl 22(R),28-epoxy-1alpha,3beta,24(S),28-tetrahydroxy-4alpha,14-dimethyl-9,19-cycloergostane-4-carboxylate

Registry Numbers

CAS Registry Number

  • 1392-82-1

System Generated Number

  • 0001392821

Structure Descriptors

InChI

1S/C37H60O12/c1-17(2)37(46)14-20(48-31(37)45)18(3)19-9-10-33(5)22-7-8-23-34(6,30(44)49-29-28(43)27(42)26(41)21(15-38)47-29)24(39)13-25(40)36(23)16-35(22,36)12-11-32(19,33)4/h17-29,31,38-43,45-46H,7-16H2,1-6H3/t18-,19-,20-,21-,22+,23+,24+,25+,26-,27+,28-,29+,31-,32-,33+,34+,35+,36-,37+/m1/s1

InChIKey

KKUOJZVNLJCTPF-MLKKMGAUSA-N

Smiles

C[C@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)[C@H](C[C@@H]([C@@]5(C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)C)C)[C@H]7C[C@@]([C@@H](O7)O)(C(C)C)O