(Q104667474)

English

3-Methylene-6beta,9beta-dihydroxy-6aalpha-methoxy-6,9-dimethyl-3aalpha,4,5,6,6a,9,9aalpha,9bbeta-octahydroazuleno[4,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

6,9-dihydroxy-6a-methoxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

294.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₆H₂₂O₅

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canonical SMILES

O=C1OC2C(C1=C)CCC(O)(C)C3(OC)C=CC(O)(C)C23

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@](C)(O)[C@@]1(OC)C=C[C@@](C)(O)[C@@H]21

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found in taxon

Inulanthera nuda

1 reference

stated in

Phenols, Acetylenes, and Sesquiterpene Lactones fromInulanthera nuda

Identifiers

InChI

InChI=1S/C16H22O5/c1-9-10-5-6-15(3,19)16(20-4)8-7-14(2,18)12(16)11(10)21-13(9)17/h7-8,10-12,18-19H,1,5-6H2,2-4H3/t10-,11-,12-,14-,15-,16-/m1/s1

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InChIKey

IBNRBFJYRCIDJG-KTOKRVLESA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

IBNRBFJYRCIDJG-KTOKRVLESA-N

1 reference

(Q104667474)

3-Methylene-6beta,9beta-dihydroxy-6aalpha-methoxy-6,9-dimethyl-3aalpha,4,5,6,6a,9,9aalpha,9bbeta-octahydroazuleno[4,5-b]furan-2(3H)-one

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