(Q82914444)

English

2-[5~5~-(1-Hydroxyethyl)-1~2~,2~2~,2~5~,4~2~,5~2~-pentamethyl[1~2~,2~2~:2~5~,3~2~:3~5~,4~2~:4~5~,5~2~-quinqueoxolan]-1~5~-yl]propan-2-ol

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

524.3713040039999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₅₂O₇

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based on heuristic

inferred from SMILES

canonical SMILES

CC(O)C1CCC(C)(C2CCC(C)(C3CCC(C4(C)CCC(C)(C5(C)CCC(C(C)(C)O)O5)O4)O3)O2)O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(O)[C@H]1CC[C@@](C)([C@H]2CC[C@@](C)([C@H]3CC[C@H]([C@]4(C)CCC(C)([C@]5(C)CC[C@H](C(C)(C)O)O5)O4)O3)O2)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H52O7/c1-19(31)20-11-14-27(5,34-20)24-12-15-26(4,35-24)22-9-10-23(33-22)28(6)17-18-30(8,37-28)29(7)16-13-21(36-29)25(2,3)32/h19-24,31-32H,9-18H2,1-8H3/t19?,20-,21-,22-,23-,24-,26+,27+,28+,29+,30?/m1/s1

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InChIKey

VKLFZBBMHPVTNU-OSWGICIJSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID101366725

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(Q82914444)

2-[5~5~-(1-Hydroxyethyl)-1~2~,2~2~,2~5~,4~2~,5~2~-pentamethyl[1~2~,2~2~:2~5~,3~2~:3~5~,4~2~:4~5~,5~2~-quinqueoxolan]-1~5~-yl]propan-2-ol

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Identifiers

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