(Q105143031)

English

(1R,4S,5S,9S,10S)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

group of stereoisomers with the chemical formula C₂₀H₃₀O₃

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instance of

group of stereoisomers

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1 reference

318.21949481999997 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C)C3CCC4C(=C)CC3(C4)C(O)CC12

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isomeric SMILES

C=C1C[C@]23CC1CC[C@H]2[C@]1(C)CCC[C@](C)(C(=O)O)[C@H]1CC3O

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Identifiers

InChI

InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13?,14-,15-,16?,18-,19-,20-/m0/s1

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InChIKey

KMLXVEXJZSTMBV-FDGASKSCSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

KMLXVEXJZSTMBV-FDGASKSCSA-N

1 reference

(Q105143031)

(1R,4S,5S,9S,10S)-2-hydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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