(Q82885235)

English

3-Hydroxylanosta-8,24-dien-21-al

group of stereoisomers with the chemical formula C₃₀H₄₈O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

440.365430776 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₈O₂

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based on heuristic

inferred from SMILES

canonical SMILES

CC(C)=CCCC(C=O)C1CCC2(C)C3=C(CCC12C)C1(C)CCC(O)C(C)(C)C1CC3

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC(C)=CCC[C@@H](C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C30H48O2/c1-20(2)9-8-10-21(19-31)22-13-17-30(7)24-11-12-25-27(3,4)26(32)15-16-28(25,5)23(24)14-18-29(22,30)6/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3/t21-,22+,25?,26-,28+,29+,30-/m0/s1

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InChIKey

BDXXTCGLJBYHHM-MSEDFXBCSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID801343437

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(Q82885235)

3-Hydroxylanosta-8,24-dien-21-al

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Identifiers

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