(Q82885726)

English

Methyl 1,2,10-trihydroxy-8,11a-dimethyl-4-[(3-methylbutanoyl)oxy]-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-11c,3-(epoxymethano)phenanthro[10,1-bc]pyran-3(3aH)-carboxylate

group of stereoisomers with the chemical formula C₂₆H₃₂O₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

520.1944618439999 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COC(=O)C12COC34C(CC5=C(C)C(=O)C(O)=CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)CC(C)C)C24

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

COC(=O)[C@@]12COC34[C@H]1[C@@H](OC(=O)CC(C)C)C(=O)O[C@@H]3CC1=C(C)C(=O)C(O)=C[C@]1(C)[C@H]4[C@@H](O)[C@@H]2O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25(23(33)34-5)9-35-26(20)14(36-22(18)32)7-12-11(3)16(29)13(27)8-24(12,4)19(26)17(30)21(25)31/h8,10,14,17-21,27,30-31H,6-7,9H2,1-5H3/t14-,17-,18-,19-,20+,21+,24+,25+,26?/m1/s1

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InChIKey

XNSDRSYXOLTAQT-VQRLCXRESA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID901343866

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(Q82885726)

Methyl 1,2,10-trihydroxy-8,11a-dimethyl-4-[(3-methylbutanoyl)oxy]-5,9-dioxo-1,4,5,6a,7,9,11a,11b-octahydro-2H-11c,3-(epoxymethano)phenanthro[10,1-bc]pyran-3(3aH)-carboxylate

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Identifiers

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