(Q105367016)

English

4-[12-Hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₃₄H₄₀O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

592.26723286 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₀O₉

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canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C1=O)C(OC)C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC432)CC=C(C)C)(C)C)C

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Identifiers

InChI

InChI=1S/C34H40O9/c1-16(2)9-10-19-26-18(12-13-31(4,5)41-26)24(35)22-25(36)23-28(40-8)20-15-21-32(6,7)43-33(29(20)37,14-11-17(3)30(38)39)34(21,23)42-27(19)22/h9,11-13,20-21,23,28,35H,10,14-15H2,1-8H3,(H,38,39)

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InChIKey

YWPUDSYPVZVGNW-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YWPUDSYPVZVGNW-UHFFFAOYSA-N

(Q105367016)

4-[12-Hydroxy-16-methoxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enoic acid

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