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(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol


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Chemical Component Summary

Name(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
Synonyms2-methylidene-26,27-diphenyl-19-nor-1,25-dihydroxy vitamin D3
Identifiers(1~{R},3~{R})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-6-oxidanyl-7-phenyl-6-(phenylmethyl)heptan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-2-methylidene-cyclohexane-1,3-diol
FormulaC39 H52 O3
Molecular Weight568.828
TypeNON-POLYMER
Isomeric SMILESC[C@H](CCCC(Cc1ccccc1)(Cc2ccccc2)O)[C@H]3CC[C@@H]\4[C@@]3(CCC/C4=C\C=C5C[C@H](C(=C)[C@@H](C5)O)O)C
InChIInChI=1S/C39H52O3/c1-28(12-10-23-39(42,26-30-13-6-4-7-14-30)27-31-15-8-5-9-16-31)34-20-21-35-33(17-11-22-38(34,35)3)19-18-32-24-36(40)29(2)37(41)25-32/h4-9,13-16,18-19,28,34-37,40-42H,2,10-12,17,20-27H2,1,3H3/b33-19+/t28-,34-,35+,36-,37-,38-/m1/s1
InChIKeyRRDOSUMZWOEOPZ-BYWDIONYSA-N

Chemical Details

Formal Charge0
Atom Count94
Chiral Atom Count6
Bond Count98
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 121225573