(Q83001886)

English

1-O-(1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carbonyl)hexopyranuronic acid

group of stereoisomers with the chemical formula C₂₁H₃₀O₈

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instance of

group of stereoisomers

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1 reference

410.19406791999995 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₁H₃₀O₈

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canonical SMILES

O=C(O)C1OC(OC(=O)C2=CC3CC(C)(C)CC34C2CCC4C)C(O)C(O)C1O

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isomeric SMILES

CC1CC[C@H]2C(C(=O)O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)=C[C@@H]3CC(C)(C)CC132

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Identifiers

InChI

InChI=1S/C21H30O8/c1-9-4-5-12-11(6-10-7-20(2,3)8-21(9,10)12)18(27)29-19-15(24)13(22)14(23)16(28-19)17(25)26/h6,9-10,12-16,19,22-24H,4-5,7-8H2,1-3H3,(H,25,26)/t9?,10-,12+,13+,14+,15-,16+,19-,21?/m1/s1

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InChIKey

BFYOGFPGIVIQCC-PLCONXLHSA-N

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26 December 2021

matched by identifier from

InChIKey

BFYOGFPGIVIQCC-PLCONXLHSA-N

1 reference

1 reference

matched by identifier from

InChIKey

BFYOGFPGIVIQCC-PLCONXLHSA-N

DSSTOX compound identifier

DTXCID601433103

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(Q83001886)

1-O-(1,7,7-Trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carbonyl)hexopyranuronic acid

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