(Q105207756)

English

[4-hydroxy-3-methyl-5-[[(2R,5S,6S,7R)-2,5,6,11,11-pentamethyl-14-oxo-12,13-dioxatricyclo[8.6.0.02,7]hexadec-1(10)-en-6-yl]methyl]phenyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[4-Hydroxy-3-methyl-5-[(2,5,6,11,11-pentamethyl-14-oxo-12,13-dioxatricyclo[8.6.0.02,7]hexadec-1(10)-en-6-yl)methyl]phenyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

484.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₄₀O₆

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canonical SMILES

O=C(OC=1C=C(C(O)=C(C1)CC2(C)C(C)CCC3(C4=C(CCC32)C(OOC(=O)CC4)(C)C)C)C)C

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isomeric SMILES

CC(=O)Oc1cc(C)c(O)c(C[C@@]2(C)[C@@H](C)CC[C@@]3(C)C4=C(CC[C@H]23)C(C)(C)OOC(=O)CC4)c1

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found in taxon

Stypopodium zonale

1 reference

stated in

In vitro antiviral effect of meroditerpenes isolated from the Brazilian seaweed Stypopodium zonale (Dictyotales).

Taonia atomaria

1 reference

stated in

ISOLATION AND X-RAY STRUCTURAL DETERMINATION OF THREE NEW DITERPENOIDS FROM THE MARINE ALGATAONIA ATOMARIA

Identifiers

InChI

InChI=1S/C29H40O6/c1-17-14-21(33-19(3)30)15-20(26(17)32)16-29(7)18(2)12-13-28(6)23-9-11-25(31)34-35-27(4,5)22(23)8-10-24(28)29/h14-15,18,24,32H,8-13,16H2,1-7H3/t18-,24-,28-,29-/m0/s1

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InChIKey

PFIJWBMKLUYYTJ-KIKITWEQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PFIJWBMKLUYYTJ-KIKITWEQSA-N

(Q105207756)

[4-hydroxy-3-methyl-5-[[(2R,5S,6S,7R)-2,5,6,11,11-pentamethyl-14-oxo-12,13-dioxatricyclo[8.6.0.02,7]hexadec-1(10)-en-6-yl]methyl]phenyl] acetate

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Identifiers

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