(Q82946990)

English

2-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-oxoethyl methanesulfonate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

566.245057936 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₈N₂O₆S

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canonical SMILES

CC1=CC2C(C(O)CC3(C)C2CC(C)C3(O)C(=O)COS(C)(=O)=O)C2(C)Cc3cnn(-c4ccccc4)c3C=C12

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1C[C@H]2[C@@H]3C=C(C4=CC5=C(C[C@@]4([C@H]3[C@H](C[C@@]2([C@]1(C(=O)COS(=O)(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C

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Identifiers

InChI

InChI=1S/C31H38N2O6S/c1-18-11-22-24-12-19(2)31(36,27(35)17-39-40(5,37)38)30(24,4)15-26(34)28(22)29(3)14-20-16-32-33(25(20)13-23(18)29)21-9-7-6-8-10-21/h6-11,13,16,19,22,24,26,28,34,36H,12,14-15,17H2,1-5H3/t19-,22+,24+,26+,28-,29+,30+,31+/m1/s1

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InChIKey

ZTIPMRARWYTJJD-WSHUFMFXSA-N

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matched by identifier from

InChIKey

ZTIPMRARWYTJJD-WSHUFMFXSA-N

1 reference

1 reference

matched by identifier from

InChIKey

ZTIPMRARWYTJJD-WSHUFMFXSA-N

DSSTOX compound identifier

DTXCID701392548

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(Q82946990)

2-(1,11-Dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl)-2-oxoethyl methanesulfonate

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