(Q104396075)

English

6-[(3Z)-5,6-dimethylhept-3-en-2-yl]-5,9-dimethylpentacyclo[11.4.1.0¹,¹³.0²,¹⁰.0⁵,⁹]octadec-2-en-15-ol

group of stereoisomers with the chemical formula C₂₉H₄₆O

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Statements

group of stereoisomers

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chemical compound

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410.354866092 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₆O

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canonical SMILES

OC1CCC23C4=CCC5(C)C(CCC5(C)C4CCC3(C1)C2)C(C=CC(C)C(C)C)C

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isomeric SMILES

CC(C)C(C)/C=C\C(C)C1CCC2(C)C3CCC45CC(O)CCC4(C5)C3=CCC12C

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based on heuristic

inferred from InChI

Nervilia plicata

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Structure and C-13 signal assignments of new methylsterols from by two-dimensional NMR spectroscopy

Identifiers

InChI=1S/C29H46O/c1-19(2)20(3)7-8-21(4)23-10-13-27(6)24-12-15-28-17-22(30)9-16-29(28,18-28)25(24)11-14-26(23,27)5/h7-8,11,19-24,30H,9-10,12-18H2,1-6H3/b8-7-

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BSDPKBFUXWNFKP-FPLPWBNLSA-N

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