(Q105195256)

English

(1S,3S,4aS,10aR)-3-hydroxy-1,4a-dimethyl-5,8-dioxo-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

chemical compound

In more languages

Statements

type of chemical entity

0 references

3-hydroxy-7-isopropyl-1,4a-dimethyl-5,8-dioxo-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C1C=C(C(=O)C2=C1C3(C)CC(O)CC(C(=O)O)(C)C3CC2)C(C)C

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isomeric SMILES

CC(C)C1=CC(=O)C2=C(CC[C@H]3[C@@](C)(C(=O)O)C[C@@H](O)C[C@]23C)C1=O

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Tripterygium wilfordii

1 reference

Tripterygium wilfordii var. regelii which are interleukin-1 inhibitors

Identifiers

InChI=1S/C20H26O5/c1-10(2)13-7-14(22)16-12(17(13)23)5-6-15-19(16,3)8-11(21)9-20(15,4)18(24)25/h7,10-11,15,21H,5-6,8-9H2,1-4H3,(H,24,25)/t11-,15+,19-,20-/m0/s1

0 references

OOAHVYZKTRAHNP-ZYRWRLHKSA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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