(Q105278926)

English

(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9abeta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide

1 reference

based on heuristic

inferred from SMILES

mass

280.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(4R,4aS,5R,8aS,9aR)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9aalpha-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₄

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canonical SMILES

O=C1OC2(OC)C(=C1C)C(O)C3(C)C(C)CCCC3C2

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isomeric SMILES

CO[C@]12C[C@H]3CCC[C@H](C)[C@@]3(C)[C@H](O)C1=C(C)C(=O)O2

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found in taxon

Ligularia fischerii

1 reference

stated in

Eremophilenolides from Ligularia fischeri

Petasites japonicus

1 reference

stated in

Eremophilenolides from petasites japonicus

Identifiers

InChI

InChI=1S/C16H24O4/c1-9-6-5-7-11-8-16(19-4)12(10(2)14(18)20-16)13(17)15(9,11)3/h9,11,13,17H,5-8H2,1-4H3/t9-,11+,13+,15+,16-/m0/s1

0 references

InChIKey

UTOHVMLCPJSXEB-XZQAYTDWSA-N

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CAS Registry Number

58848-45-6

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UTOHVMLCPJSXEB-XZQAYTDWSA-N

1 reference

1 reference

matched by identifier from

InChIKey

UTOHVMLCPJSXEB-XZQAYTDWSA-N

(Q105278926)

(4S)-4a,5,6,7,8,8abeta,9,9a-Octahydro-4beta-hydroxy-9abeta-methoxy-3,4abeta,5beta-trimethylnaphtho[2,3-b]furan-2(4H)-one

Statements

Identifiers

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