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Substance Name: 2'-Acetylglaucarubinone
RN: 33957-83-4
InChIKey: MYXSXBKEINPXNR-CRXXLAPSSA-N

Molecular Formula

  • C27-H36-O11

Molecular Weight

  • 536.5704
 
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Names and Synonyms

Results Name

  • 2'-Acetylglaucarubinone

Synonym

  • 2'-Acetylglaucarubinone

Systematic Name

  • Picras-3-ene-2,16-dione, 15-(2-(acetyloxy)-2-methyl-1-oxobutoxy)-11,20-epoxy-1,11,12-trihydroxy-, (1beta,11beta,12alpha,14beta)-

Registry Numbers

CAS Registry Number

  • 33957-83-4

System Generated Number

  • 0033957834

Structure Descriptors

InChI

1S/C27H36O11/c1-7-24(5,38-13(4)28)23(33)37-18-17-12(3)19(30)27(34)22-25(6)14(11(2)8-15(29)20(25)31)9-16(36-21(18)32)26(17,22)10-35-27/h8,12,14,16-20,22,30-31,34H,7,9-10H2,1-6H3/t12-,14+,16-,17-,18-,19-,20-,22-,24?,25-,26+,27?/m1/s1

InChIKey

MYXSXBKEINPXNR-CRXXLAPSSA-N

Smiles

CCC(C)(C(=O)O[C@@H]1[C@H]2[C@H]([C@H](C3([C@H]4[C@@]2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O)C)OC(=O)C