(Q105110502)

English

(2R)-2-methyl-3-methylidene-6-[(1S,3R,15R,16R)-7,7,12,16-tetramethyl-6-oxopentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecan-15-yl]heptanoic acid

group of stereoisomers with the chemical formula C₃₁H₄₈O₃

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Statements

group of stereoisomers

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24-methylcycloartane steroid

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24-methylcycloartane steroid

468.36034539599996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₄₈O₃

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canonical SMILES

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

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isomeric SMILES

C=C(CCC(C)[C@H]1CCC2(C)C3CCC4C(C)(C)C(=O)CC[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)C(=O)O

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Identifiers

InChI=1S/C31H48O3/c1-19(21(3)26(33)34)8-9-20(2)22-12-14-29(7)24-11-10-23-27(4,5)25(32)13-15-30(23)18-31(24,30)17-16-28(22,29)6/h20-24H,1,8-18H2,2-7H3,(H,33,34)/t20?,21-,22-,23?,24?,28-,29?,30-,31+/m1/s1

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HTNUCKDQVIZWMJ-UMUCOWQQSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

HTNUCKDQVIZWMJ-UMUCOWQQSA-N

UniChem compound ID

1 reference

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