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Substance Name: Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 1,2,3,4-tetrahydro-1,2-chrysenediyl ester, (1R-(1alpha(1R*,2R*(1R*,2S*,5R*)),2beta,5alpha))-
RN: 80399-23-1
InChIKey: PLZRBZREFHLELR-OSSMTASGSA-N

Molecular Formula

  • C42-H56-O6

Molecular Weight

  • 656.898
 
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Names and Synonyms

  • Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 1,2,3,4-tetrahydro-1,2-chrysenediyl ester, (1R-(1alpha(1R*,2R*(1R*,2S*,5R*)),2beta,5alpha))-

Registry Numbers

CAS Registry Number

  • 80399-23-1

System Generated Number

  • 0080399231

Structure Descriptors

InChI

1S/C42H56O6/c1-25(2)30-14-11-27(5)21-38(30)45-23-40(43)47-37-20-19-35-34-16-13-29-9-7-8-10-32(29)33(34)17-18-36(35)42(37)48-41(44)24-46-39-22-28(6)12-15-31(39)26(3)4/h7-10,13,16-18,25-28,30-31,37-39,42H,11-12,14-15,19-24H2,1-6H3/t27?,28?,30?,31?,37-,38?,39?,42-/m1/s1

InChIKey

PLZRBZREFHLELR-OSSMTASGSA-N

Smiles

C1[C@H]([C@@H](c2ccc3c4ccccc4ccc3c2C1)OC(CO[C@@H]1[C@@H](CC[C@@H](C1)C)C(C)C)=O)OC(CO[C@@H]1[C@@H](CC[C@@H](C1)C)C(C)C)=O