(Q104400845)

English

6-[(1S,3R,8R,11R,12S,16R)-6-hydroxy-7,7,12,16-tetramethylpentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]-2-methylhept-2-enoic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₃

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Statements

group of stereoisomers

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cycloartane triterpenoid

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cycloartane triterpenoid

456.36034539599996 dalton

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chemical formula

C₃₀H₄₈O₃

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canonical SMILES

O=C(O)C(=CCCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC54CC35CCC12C)C

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isomeric SMILES

CC(=CCCC(C)C1CC[C@@]2(C)[C@H]3CC[C@H]4C(C)(C)C(O)CC[C@@]45C[C@@]35CC[C@]12C)C(=O)O

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Identifiers

InChI=1S/C30H48O3/c1-19(8-7-9-20(2)25(32)33)21-12-14-28(6)23-11-10-22-26(3,4)24(31)13-15-29(22)18-30(23,29)17-16-27(21,28)5/h9,19,21-24,31H,7-8,10-18H2,1-6H3,(H,32,33)/t19?,21?,22-,23+,24?,27+,28-,29+,30-/m0/s1

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CYHOTEDWAOHQLA-SCMGVCSYSA-N

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