(Q104938621)

English

(3aR,4R,6R,7S,10E,11aS)-4-hydroxy-7-methoxy-6,10-dimethyl-3-methylidene-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2,5-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

germacrane sesquiterpenoid

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mass

294.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₅

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canonical SMILES

O=C1OC2C=C(C)CCC(OC)C(C(=O)C(O)C2C1=C)C

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isomeric SMILES

C=C1C(=O)O[C@H]2/C=C(\C)CC[C@H](OC)[C@@H](C)C(=O)[C@H](O)[C@@H]12

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found in taxon

Montanoa hibiscifolia

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stated in

Sesquiterpene lactones from Montanoa hibiscifolia that inhibit the transcription factor NF-kappa B.

Identifiers

InChI

InChI=1S/C16H22O5/c1-8-5-6-11(20-4)9(2)14(17)15(18)13-10(3)16(19)21-12(13)7-8/h7,9,11-13,15,18H,3,5-6H2,1-2,4H3/b8-7+/t9-,11+,12+,13+,15-/m1/s1

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InChIKey

BMWGTJJGVAZYQP-WCQDRJGZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BMWGTJJGVAZYQP-WCQDRJGZSA-N

1 reference

(Q104938621)

(3aR,4R,6R,7S,10E,11aS)-4-hydroxy-7-methoxy-6,10-dimethyl-3-methylidene-4,6,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2,5-dione

Statements

Identifiers

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