(Q104909065)

English

[(1S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] 3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₁H₃₀O₈

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

530.19406792 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₃₀O₈

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canonical SMILES

O=C(OC1C2=CC=3OCOC3C=4OCC5(C(=O)C(OC)=C(OC)C=C5CC(C)C1C)C42)C=CC=6C=CC=CC6

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isomeric SMILES

COC1=C(OC)C(=O)[C@]23COc4c5c(cc(c42)C(OC(=O)C=Cc2ccccc2)C(C)C(C)CC3=C1)OCO5

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Identifiers

InChI

InChI=1S/C31H30O8/c1-17-12-20-13-22(34-3)28(35-4)30(33)31(20)15-36-29-25(31)21(14-23-27(29)38-16-37-23)26(18(17)2)39-24(32)11-10-19-8-6-5-7-9-19/h5-11,13-14,17-18,26H,12,15-16H2,1-4H3/t17?,18?,26?,31-/m0/s1

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InChIKey

ACFUZZGYRLQTDI-NVCCVVDNSA-N

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PubChem CID

138112474

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ACFUZZGYRLQTDI-NVCCVVDNSA-N

(Q104909065)

[(1S)-18,19-dimethoxy-13,14-dimethyl-20-oxo-3,6,8-trioxapentacyclo[9.9.1.01,16.04,21.05,9]henicosa-4(21),5(9),10,16,18-pentaen-12-yl] 3-phenylprop-2-enoate

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