(Q105278510)

English

(1S,8aR)-1-methyl-6-methylidene-4-propan-2-yl-5,7,8,8a-tetrahydro-2H-naphthalene-1,4a-diol

group of stereoisomers with the chemical formula C₁₅H₂₄O₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

236.177630008 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₄O₂

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canonical SMILES

OC12C(=CCC(O)(C)C2CCC(=C)C1)C(C)C

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isomeric SMILES

C=C1CC[C@H]2C(O)(C1)C(C(C)C)=CC[C@]2(C)O

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found in taxon

Acorus calamus

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stated in

[Studies on the constituents of the roots of Acorus calamus L]

Identifiers

InChI

InChI=1S/C15H24O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h7,10,13,16-17H,3,5-6,8-9H2,1-2,4H3/t13-,14+,15?/m1/s1

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InChIKey

USTNWHUHFGWSGY-GNXJLENFSA-N

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2 references

6 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

USTNWHUHFGWSGY-GNXJLENFSA-N

1 reference

(Q105278510)

(1S,8aR)-1-methyl-6-methylidene-4-propan-2-yl-5,7,8,8a-tetrahydro-2H-naphthalene-1,4a-diol

Statements

Identifiers

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