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Substance Name: EINECS 204-831-1
RN: 127-24-2
InChIKey: BCUDEFKEXDZXSG-UHFFFAOYSA-N

Molecular Formula

  • C85-H132-O8

Molecular Weight

  • 1281.97
 
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Names and Synonyms

Results Name

  • EINECS 204-831-1

Synonym

  • EINECS 204-831-1

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'-(2,2-bis((((1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl) ester
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-, 2,2-bis((((1,2,3,4,4a,4b,5,6,7,9,10,10a-dodecahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl)carbonyl)oxy)methyl)-1,3-propanediyl ester

Registry Numbers

CAS Registry Number

  • 127-24-2

System Generated Number

  • 0000127242

Structure Descriptors

InChI

1S/C85H132O8/c1-53(2)57-21-29-65-61(45-57)25-33-69-77(65,9)37-17-41-81(69,13)73(86)90-49-85(50-91-74(87)82(14)42-18-38-78(10)66-30-22-58(54(3)4)46-62(66)26-34-70(78)82,51-92-75(88)83(15)43-19-39-79(11)67-31-23-59(55(5)6)47-63(67)27-35-71(79)83)52-93-76(89)84(16)44-20-40-80(12)68-32-24-60(56(7)8)48-64(68)28-36-72(80)84/h45-48,53-60,65-72H,17-44,49-52H2,1-16H3

InChIKey

BCUDEFKEXDZXSG-UHFFFAOYSA-N

Smiles

C1C2=C[C@@H](CC[C@@H]2[C@@]2([C@@H](C1)[C@@](C(OCC(COC(=O)[C@@]1([C@@H]3CCC=4[C@@H]([C@@]3(CCC1)C)CC[C@@H](C4)C(C)C)C)(COC([C@@]1([C@@H]3CCC=4[C@@H]([C@@]3(CCC1)C)CC[C@@H](C4)C(C)C)C)=O)COC([C@@]1([C@@H]3CCC=4[C@@H]([C@@]3(CCC1)C)CC[C@@H](C4)C(C)C)C)=O)=O)(C)CCC2)C)C(C)C