(Q105171483)

English

(1S,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1,4a-Dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

314.188194692 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

7-oxodehydroabietic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₃

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canonical SMILES

O=C(O)C1(C)CCCC2(C3=CC=C(C=C3C(=O)CC12)C(C)C)C

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isomeric SMILES

CC(C)c1ccc2c(c1)C(=O)C[C@H]1[C@@](C)(C(=O)O)CCC[C@]21C

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found in taxon

Ferula assa-foetida

1 reference

stated in

Influenza A (H(1)N(1)) Antiviral and Cytotoxic Agents from Ferula assa-foetida.

Juniperus chinensis

1 reference

stated in

Abietanes from leaves of Juniperus chinensis

Juniperus sabina

1 reference

stated in

Terpenoids from Juniperus sabina

Identifiers

InChI

InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20+/m1/s1

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InChIKey

MSWJSDLNPCSSNW-RLLQIKCJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MSWJSDLNPCSSNW-RLLQIKCJSA-N

1 reference

(Q105171483)

(1S,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid

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Identifiers

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