(Q105282485)

English

[(1R,4aR)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(5-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxo-3,4-dihydro-2H-phenanthren-1-yl)methyl 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

396.230059504 dalton

1 reference

1 reference

C₂₅H₃₂O₄

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canonical SMILES

O=C(OCC1(C2=CC=C3C=C(C(=O)C(O)=C3C2(C)CCC1)C(C)C)C)C=C(C)C

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isomeric SMILES

CC(C)=CC(=O)OC[C@]1(C)CCC[C@]2(C)C1=CC=C1C=C(C(C)C)C(=O)C(O)=C12

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found in taxon

Plectranthus strigosus

1 reference

stated in

Drüsenfarbstoffe aus tropischen Labiaten: Parviflorone ausPlectranthus strigosusBENTH.

Identifiers

InChI

InChI=1S/C25H32O4/c1-15(2)12-20(26)29-14-24(5)10-7-11-25(6)19(24)9-8-17-13-18(16(3)4)22(27)23(28)21(17)25/h8-9,12-13,16,28H,7,10-11,14H2,1-6H3/t24-,25+/m0/s1

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InChIKey

UZURPRBJKYMPJJ-LOSJGSFVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UZURPRBJKYMPJJ-LOSJGSFVSA-N

(Q105282485)

[(1R,4aR)-5-hydroxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4-dihydro-2H-phenanthren-1-yl]methyl 3-methylbut-2-enoate

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