(Q82893200)

English

4-[1-(Furan-3-yl)-4,7a-dimethyl-4-{[(2-phenylethyl)amino]methyl}-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl]-3-(hydroxymethyl)-2,2,4-trimethylcyclohexan-1-ol

chemical compound

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

519.371244428 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₉NO₃

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based on heuristic

inferred from SMILES

canonical SMILES

CC12CCC(C3(C)CCC(O)C(C)(C)C3CO)C(C)(CNCCc3ccccc3)C1=CCC2c1ccoc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1(CNCCc2ccccc2)C2=CC[C@@H](c3ccoc3)[C@]2(C)CCC1[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CO

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H49NO3/c1-31(2)29(21-36)33(4,18-14-30(31)37)28-13-17-32(3)26(25-16-20-38-22-25)11-12-27(32)34(28,5)23-35-19-15-24-9-7-6-8-10-24/h6-10,12,16,20,22,26,28-30,35-37H,11,13-15,17-19,21,23H2,1-5H3/t26-,28?,29-,30+,32-,33+,34?/m0/s1

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InChIKey

FGJASKZRHRDVAG-ZNFYBZHWSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID601349384

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(Q82893200)

4-[1-(Furan-3-yl)-4,7a-dimethyl-4-{[(2-phenylethyl)amino]methyl}-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl]-3-(hydroxymethyl)-2,2,4-trimethylcyclohexan-1-ol

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Identifiers

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