(Q105234928)

English

[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-octahydronaphtho[1,2-b]furan-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Naphtho(1,2-b)furan-2(3H)-one, 4-(acetyloxy)decahydro-6-hydroxy-5a-methyl-3,9-bis(methylene)-, (3aR,4R,5aR,6R,9aS,9bR)-

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C)CC3(C)C(O)CCC(=C)C23

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isomeric SMILES

C=C1CC[C@@H](O)[C@]2(C)C[C@H](OC(C)=O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12

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found in taxon

Argyranthemum adauctum

1 reference

stated in

Sesquiterpenes and acetylenes from Argyranthemum adauctum ssp. jacobaeifolium

Cassinia subtropica

1 reference

stated in

Sesquiterpene lactones and other constituents from Cassinia, actinobole and an axeton species

Mikania guaco

1 reference

stated in

Sesquiterpene lactones from Mikania species

Schistostephium crataegifolium

1 reference

stated in

Sesquiterpene lactones and other constituents from Schistostephium species

Identifiers

InChI

InChI=1S/C17H22O5/c1-8-5-6-12(19)17(4)7-11(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h11-15,19H,1-2,5-7H2,3-4H3/t11-,12+,13+,14+,15-,17-/m0/s1

0 references

InChIKey

REKMRDLPINOZME-YQCBVSTRSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

REKMRDLPINOZME-YQCBVSTRSA-N

(Q105234928)

[(3aR,4S,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] acetate

Statements

Identifiers

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