(Q105244736)

English

(1R,7S,9aS,11aR)-6,9a,11a-trimethyl-1-(6-methyl-5-methylideneheptan-2-yl)-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-ol

group of stereoisomers with the chemical formula C₂₉H₄₈O

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Statements

group of stereoisomers

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4-methylergostane steroid

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4-methylergostane steroid

412.370516156 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₄₈O

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canonical SMILES

OC1CCC2(C)C3C(=CCC2C1C)C4CCC(C(C)CCC(=C)C(C)C)C4(C)CC3

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isomeric SMILES

C=C(CCC(C)[C@H]1CCC2C3=CCC4C(C)[C@@H](O)CC[C@]4(C)C3CC[C@@]21C)C(C)C

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Identifiers

InChI=1S/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3/t20?,21?,23-,24?,25?,26?,27+,28-,29+/m1/s1

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RSMKYRDCCSNYFM-DXXVFLJASA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

RSMKYRDCCSNYFM-DXXVFLJASA-N

UniChem compound ID

1 reference

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