(Q105232420)

English

[(2R,4aS,4bS,8S,8aR,10aS)-8-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[8-[(4-Hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

456.28757438 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,4aS,4bR,8S,8aR,10aS)-8-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₈H₄₀O₅

0 references

canonical SMILES

O=C1OC(=CC(O)=C1CC2C(=C)CCC3C2(C)CCC4C(C)(C)C(OC(=O)C)CCC43C)C

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isomeric SMILES

C=C1CC[C@@H]2[C@]3(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]3CC[C@]2(C)[C@H]1Cc1c(O)cc(C)oc1=O

0 references

found in taxon

Penicilliopsis zonata

1 reference

stated in

Structure of aszonapyrone A, a new metabolite produced by Aspergillus zonatus.

Aspergillus zonatus

1 reference

stated in

Structure of aszonapyrone A, a new metabolite produced by Aspergillus zonatus.

Identifiers

InChI

InChI=1S/C28H40O5/c1-16-8-9-23-27(6,20(16)15-19-21(30)14-17(2)32-25(19)31)12-10-22-26(4,5)24(33-18(3)29)11-13-28(22,23)7/h14,20,22-24,30H,1,8-13,15H2,2-7H3/t20-,22+,23-,24+,27+,28+/m0/s1

0 references

InChIKey

QZWJQNIIRYNONX-UODINPDXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QZWJQNIIRYNONX-UODINPDXSA-N

(Q105232420)

[(2R,4aS,4bS,8S,8aR,10aS)-8-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-1,1,4a,8a-tetramethyl-7-methylidene-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthren-2-yl] acetate

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