(Q82690668)

English

(1R,2R,3aS,9aS)-2-[(Oxan-2-yl)oxy]-1-{(3S)-3-[(oxan-2-yl)oxy]oct-1-en-1-yl}-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-ol

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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498.3345245719999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₆O₅

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based on heuristic

inferred from SMILES

canonical SMILES

CCCCCC(C=CC1C(OC2CCCCO2)CC2Cc3c(O)cccc3CC21)OC1CCCCO1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCCCC[C@@H](C=C[C@@H]1[C@H]2Cc3cccc(O)c3C[C@H]2C[C@H]1OC1CCCCO1)OC1CCCCO1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C31H46O5/c1-2-3-4-11-24(35-30-13-5-7-17-33-30)15-16-25-26-19-22-10-9-12-28(32)27(22)20-23(26)21-29(25)36-31-14-6-8-18-34-31/h9-10,12,15-16,23-26,29-32H,2-8,11,13-14,17-21H2,1H3/t23-,24-,25+,26-,29+,30?,31?/m0/s1

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ZNXVBPHDKQJBTO-WKJRIWMVSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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