(Q82956423)

English

7-Acetyl-4a,6a-dimethyl-2-oxo-2,3,4,4a,4b,6,6a,7,8,9,9a,9b,10,11-tetradecahydrocyclopenta[d]naphtho[1,2-b]pyran-7-yl acetate

chemical compound

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Statements

type of chemical entity

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chemical compound

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374.2093240599999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₀O₅

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canonical SMILES

CC(=O)OC1(C(C)=O)CCC2C3CCC4=CC(=O)CCC4(C)C3OCC21C

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CO[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C

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Identifiers

InChI=1S/C22H30O5/c1-13(23)22(27-14(2)24)10-8-18-17-6-5-15-11-16(25)7-9-20(15,3)19(17)26-12-21(18,22)4/h11,17-19H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-/m0/s1

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ORNAXFAXMIRIQF-WLNPFYQQSA-N

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CAS Registry Number

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matched by identifier from

ORNAXFAXMIRIQF-WLNPFYQQSA-N

UniChem compound ID

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DSSTox substance ID

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matched by identifier from

ORNAXFAXMIRIQF-WLNPFYQQSA-N

DSSTOX compound identifier

DTXCID501400103

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