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Substance Name: EINECS 204-131-6
RN: 116-22-3
InChIKey: QSWONYVPBOBZDL-UHFFFAOYSA-N

Molecular Formula

  • C44-H70-O5

Molecular Weight

  • 679.032
 
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Names and Synonyms

Results Name

  • EINECS 204-131-6

Synonym

  • EINECS 204-131-6

Systematic Names

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 1,1'-(oxydi-2,1-ethanediyl) ester, (1R,1'R,4aS,4'aS,4bS,4'bS,7S,7'S,10aR,10'aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, oxydi-2,1-ethanediyl ester, (1R,1'R,4aS,4'aS,4bS,4'bS,7S,7'S,10aR,10'aR)-

Registry Numbers

CAS Registry Number

  • 116-22-3

System Generated Number

  • 0000116223

Structure Descriptors

InChI

1S/C44H70O5/c1-29(2)31-11-15-35-33(27-31)13-17-37-41(35,5)19-9-21-43(37,7)39(45)48-25-23-47-24-26-49-40(46)44(8)22-10-20-42(6)36-16-12-32(30(3)4)28-34(36)14-18-38(42)44/h27-32,35-38H,9-26H2,1-8H3

InChIKey

QSWONYVPBOBZDL-UHFFFAOYSA-N

Smiles

O=C(OCCOCCOC(=O)[C@@]1([C@@H]2[C@@]([C@@H]3C(=C[C@@H](CC3)C(C)C)CC2)(CCC1)C)C)[C@@]1([C@@H]2[C@@]([C@@H]3C(=C[C@@H](CC3)C(C)C)CC2)(CCC1)C)C