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Substance Name: Acetic acid, ((5-methyl-2-(1-methylethyl)cyclohexyl)oxy)-, 1,2,3,4-tetrahydrobenz(a)anthracene-3,4-diyl ester, (1R-(1alpha(3R*,4R*(1R*,2S*,5R*)),2beta,5alpha))-
RN: 80399-22-0
InChIKey: PTZQHRWUNGUSNL-UHFFFAOYSA-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-tetrahydrobenz(a)anthracene-3,4-diyl ester, (1R-(1alpha(3R*,4R*(1R*,2S*,5R*)),2beta,5alpha))-

Registry Numbers

CAS Registry Number

  • 80399-22-0

System Generated Number

  • 0080399220

Structure Descriptors

InChI

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

InChIKey

PTZQHRWUNGUSNL-UHFFFAOYSA-N

Smiles

c12c(ccc3cc4ccccc4cc13)[C@@H]([C@@H](CC2)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