(Q110184684)

English

[(1S,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

chemical compound

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type of chemical entity

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subclass of

(7-Formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl) acetate

1 reference

based on heuristic

inferred from SMILES

mass

416.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4S,10R,12S,14R,15R)-7-Formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

1 reference

based on heuristic

inferred from InChI

[(1R,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₄O₈

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canonical SMILES

O=CC=1C=C2OC1CC(C(=C)C)CC(OC(=O)C)C34OC4C(OC3=O)CC5(OC25)C

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isomeric SMILES

C=C(C)[C@@H]1Cc2oc(cc2C=O)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@]3(O[C@H]23)[C@@H](OC(C)=O)C1

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1 reference

Identifiers

InChI

InChI=1S/C22H24O8/c1-10(2)12-5-14-13(9-23)6-15(27-14)18-21(4,29-18)8-16-19-22(30-19,20(25)28-16)17(7-12)26-11(3)24/h6,9,12,16-19H,1,5,7-8H2,2-4H3/t12-,16-,17+,18+,19-,21-,22+/m1/s1

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InChIKey

KGRIGHVGXOOCOY-RDXUZNRZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KGRIGHVGXOOCOY-RDXUZNRZSA-N

1 reference

(Q110184684)

[(1S,2S,4S,10R,12R,14R,15R)-7-formyl-12-methyl-17-oxo-4-prop-1-en-2-yl-11,16,18,19-tetraoxapentacyclo[12.2.2.16,9.01,15.010,12]nonadeca-6,8-dien-2-yl] acetate

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