(Q104958599)

English

r-Terpinene

group of stereoisomers with the chemical formula C₃₀H₄₄

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Statements

group of stereoisomers

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biogenic aliphatic hydrocarbon

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biogenic aliphatic hydrocarbon

404.344301408 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₄

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canonical SMILES

C1(=C2CC(CC1C3(C(=C4CC(C3)C4(C)C)C)C5C(=C6CC(C5)C6(C)C)C)C2(C)C)C

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isomeric SMILES

CC1=C2CC(CC1C1([C@@H]3CC4CC(=C3C)C4(C)C)CC3CC(=C1C)C3(C)C)C2(C)C

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1 reference

Volatile organic compounds of Angelica gigas Nakai, Korean medicinal herb

Identifiers

InChI=1S/C30H44/c1-16-22-10-19(27(22,4)5)12-24(16)30(15-21-14-26(18(30)3)29(21,8)9)25-13-20-11-23(17(25)2)28(20,6)7/h19-21,24-25H,10-15H2,1-9H3/t19?,20?,21?,24-,25?,30?/m1/s1

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CHBNMKPHUSAEJE-KQLJZIGXSA-N

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26 December 2021

UniChem compound ID

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