(Q82931975)

English

8,8a,11-Trihydroxy-1,6,11-trimethylhexahydro-1,5a-propanocyclopenta[d]oxepine-4,10(5H)-dione

group of stereoisomers with the chemical formula C₁₅H₂₂O₆

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Statements

group of stereoisomers

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chemical compound

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298.141638424 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₆

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based on heuristic

inferred from SMILES

canonical SMILES

CC1CC(O)C2(O)C13CC(=O)OCC2(C)C(C)(O)C(=O)C3

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1C[C@H](O)[C@@]2(O)C13CC(=O)OCC2(C)[C@@](C)(O)C(=O)C3

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C15H22O6/c1-8-4-9(16)15(20)12(2)7-21-11(18)6-14(8,15)5-10(17)13(12,3)19/h8-9,16,19-20H,4-7H2,1-3H3/t8-,9+,12?,13+,14?,15+/m1/s1

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NOHXYGXFTACADH-VXVUZNDESA-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

DTXCID901381252

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