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Substance Name: Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 1,2-dihydrobenz(a)anthracene-1,2-diyl ester, (1R-(1alpha(1R*,2R*(1R*,2S*,5R*)),2beta,5alpha))-
RN: 86562-58-5
InChIKey: MQMBBWQJCMRRAK-HEDRVUSTSA-N

Molecular Formula

  • C42-H54-O6

Molecular Weight

  • 654.883
 
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Names and Synonyms

  • Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 1,2-dihydrobenz(a)anthracene-1,2-diyl ester, (1R-(1alpha(1R*,2R*(1R*,2S*,5R*)),2beta,5alpha))-

Registry Numbers

CAS Registry Number

  • 86562-58-5

System Generated Number

  • 0086562585

Structure Descriptors

InChI

1S/C42H54O6/c1-25(2)33-16-11-27(5)19-37(33)45-23-39(43)47-36-18-15-29-13-14-32-21-30-9-7-8-10-31(30)22-35(32)41(29)42(36)48-40(44)24-46-38-20-28(6)12-17-34(38)26(3)4/h7-10,13-15,18,21-22,25-28,33-34,36-38,42H,11-12,16-17,19-20,23-24H2,1-6H3/t27?,28?,33?,34?,36-,37?,38?,42+/m1/s1

InChIKey

MQMBBWQJCMRRAK-HEDRVUSTSA-N

Smiles

c12c(ccc3cc4ccccc4cc13)C=C[C@H]([C@@H]2OC(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