(Q110186202)

English

(1R,4S,5R,8S,9S)-5-isopropyl-12-methyl-13-oxatetracyclo[10.2.2.0¹,⁹.0⁴,⁸]hexadec-10-ene-4-carboxylic acid

group of stereoisomers with the chemical formula C₂₀H₃₀O₃

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Statements

group of stereoisomers

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chemical compound

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318.21949481999997 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₃₀O₃

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canonical SMILES

O=C(O)C12CCC34COC(C=CC3C2CCC1C(C)C)(C)CC4

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isomeric SMILES

CC(C)[C@H]1CC[C@H]2[C@@H]3C=CC4(C)CC[C@@]3(CC[C@@]21C(=O)O)CO4

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Identifiers

InChI=1S/C20H30O3/c1-13(2)14-4-5-16-15-6-7-18(3)8-9-19(15,12-23-18)10-11-20(14,16)17(21)22/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,21,22)/t14-,15+,16+,18?,19-,20+/m1/s1

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QUIYFMAFJIAUMA-IAPRTJCZSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

QUIYFMAFJIAUMA-IAPRTJCZSA-N

UniChem compound ID

1 reference

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