(Q105009209)

English

(Z)-4-[(1S,2S,16S,17S,19R)-12,16-dihydroxy-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 C₃₃H₃₈O₉

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

578.251582796 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₃H₃₈O₉

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canonical SMILES

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

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isomeric SMILES

CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(C3=O)[C@@H](O)[C@@H]3C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C3=O)C=CC(C)(C)O2

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Identifiers

InChI

InChI=1S/C33H38O9/c1-15(2)8-9-18-26-17(11-12-30(4,5)40-26)23(34)21-25(36)22-24(35)19-14-20-31(6,7)42-32(28(19)37,13-10-16(3)29(38)39)33(20,22)41-27(18)21/h8,10-12,19-20,22,24,34-35H,9,13-14H2,1-7H3,(H,38,39)/b16-10-/t19-,20-,22?,24-,32-,33-/m0/s1

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InChIKey

GITYGECAVAWXHS-FZGWIHBJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GITYGECAVAWXHS-FZGWIHBJSA-N

1 reference

(Q105009209)

(Z)-4-[(1S,2S,16S,17S,19R)-12,16-dihydroxy-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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