(Q105155303)

English

(3aR,6S)-1-isopropyl-3a,5a-dimethyl-6-{[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,4H,5H,6H,7H-cyclohepta[e]indene-8-carbaldehyde

group of stereoisomers with the chemical formula C₂₅H₃₆O₆

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instance of

group of stereoisomers

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1 reference

432.25118887199994 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₆O₆

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canonical SMILES

O=CC1=CC=C2C3=C(CCC3(C)CCC2(C)C(OC4OCC(O)C(O)C4O)C1)C(C)C

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isomeric SMILES

CC(C)C1=C2C3=CC=C(C=O)C[C@H](OC4OC[C@@H](O)C(O)[C@H]4O)C3(C)CC[C@@]2(C)CC1

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Identifiers

InChI

InChI=1S/C25H36O6/c1-14(2)16-7-8-24(3)9-10-25(4)17(20(16)24)6-5-15(12-26)11-19(25)31-23-22(29)21(28)18(27)13-30-23/h5-6,12,14,18-19,21-23,27-29H,7-11,13H2,1-4H3/t18-,19+,21?,22-,23?,24-,25?/m1/s1

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InChIKey

LPPCHLAEVDUIIW-AQDNRACSSA-N

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PubChem CID

5317177

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105155303)

(3aR,6S)-1-isopropyl-3a,5a-dimethyl-6-{[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}-2H,3H,4H,5H,6H,7H-cyclohepta[e]indene-8-carbaldehyde

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