(Q105034205)

English

(3aR,4R,5aR,6R,9R,9aS,9bS)-4,6,9-trihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

chemical compound

In more languages

Statements

type of chemical entity

0 references

4,6,9-trihydroxy-5a,9-dimethyl-3-methylidene-octahydronaphtho[1,2-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

282.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3aR,4S,5aR,6R,9R,9aS,9bS)-4,6,9-trihydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₅

0 references

canonical SMILES

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

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@H]3[C@](C)(O)CC[C@@H](O)[C@]3(C)C[C@@H](O)[C@@H]12

0 references

Cassinia subtropica

1 reference

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

Ursinia abrotanifolia

1 reference

Sesquiterpene lactones and other constituents from Ursinia species

Identifiers

InChI=1S/C15H22O5/c1-7-10-8(16)6-14(2)9(17)4-5-15(3,19)12(14)11(10)20-13(7)18/h8-12,16-17,19H,1,4-6H2,2-3H3/t8-,9-,10-,11+,12-,14+,15-/m1/s1

0 references

HVEYKPZVVPHBGK-DHAGAHHYSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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