(Q104666892)

English

[(1S,2R,5R,10R,14R,16S,17R,20S,22R)-16,21-dihydroxy-14-methoxy-2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricosa-8,12-dien-17-yl] acetate

group of stereoisomers with the chemical formula C₂₈H₄₀O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

504.27231823999995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₀O₈

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canonical SMILES

O=C(OC1COC2OC3C4C(=CCC5C6=C(CCC6(C)CCC35C)C(C)C)C(OC)OC1(O)C24O)C

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isomeric SMILES

CO[C@@H]1O[C@@]2(O)[C@H](OC(C)=O)CO[C@H]3O[C@H]4[C@@H](C1=CC[C@@H]1C5=C(C(C)C)CC[C@]5(C)CC[C@@]41C)C32O

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Identifiers

InChI

InChI=1S/C28H40O8/c1-14(2)16-9-10-25(4)11-12-26(5)18(20(16)25)8-7-17-21-22(26)35-24-27(21,30)28(31,36-23(17)32-6)19(13-33-24)34-15(3)29/h7,14,18-19,21-24,30-31H,8-13H2,1-6H3/t18-,19-,21-,22+,23-,24+,25-,26-,27?,28+/m1/s1

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InChIKey

YOIRZGLRYKSCLR-CVJGJJLASA-N

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1 reference

26 December 2021

1 reference

(Q104666892)

[(1S,2R,5R,10R,14R,16S,17R,20S,22R)-16,21-dihydroxy-14-methoxy-2,5-dimethyl-8-propan-2-yl-15,19,23-trioxahexacyclo[18.2.1.02,10.05,9.013,22.016,21]tricosa-8,12-dien-17-yl] acetate

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