(Q105192164)

English

[(1R,4R,10S,11S,13S,16R)-2,11,16-trihydroxy-5,5-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-9-yl]methyl acetate

group of stereoisomers with the chemical formula C₂₂H₃₂O₆

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instance of

group of stereoisomers

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1 reference

392.21988874399995 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C(OCC12CCCC(C)(C)C2CC(O)C34C(=O)C(=C)C(CC(O)C31)C4O)C

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isomeric SMILES

C=C1C(=O)[C@@]23C(O)C[C@@H]4C(C)(C)CCCC4(COC(C)=O)[C@@H]2[C@@H](O)C[C@@H]1[C@H]3O

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Identifiers

InChI

InChI=1S/C22H32O6/c1-11-13-8-14(24)17-21(10-28-12(2)23)7-5-6-20(3,4)15(21)9-16(25)22(17,18(11)26)19(13)27/h13-17,19,24-25,27H,1,5-10H2,2-4H3/t13-,14-,15+,16?,17-,19+,21?,22+/m0/s1

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InChIKey

OHNVJXDBOKZLFC-VLNMMGBWSA-N

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PubChem CID

366919

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OHNVJXDBOKZLFC-VLNMMGBWSA-N

1 reference

(Q105192164)

[(1R,4R,10S,11S,13S,16R)-2,11,16-trihydroxy-5,5-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-9-yl]methyl acetate

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