(Q105250688)

English

[3-acetyloxy-5-[(E)-2-[(8bS,14aS)-2,4,6,7-tetraacetyloxy-8b,14a-dihydrophenanthro[9,10-b][1,4]benzodioxin-11-yl]ethenyl]phenyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Acetyloxy-5-[2-(2,4,6,7-tetraacetyloxy-8b,14a-dihydrophenanthro[9,10-b][1,4]benzodioxin-11-yl)ethenyl]phenyl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

736.179205704 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₃₂O₁₄

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canonical SMILES

O=C(OC=1C=C(OC(=O)C)C=C(C=CC2=CC=C3OC4C=5C=C(OC(=O)C)C=C(OC(=O)C)C5C6=CC(OC(=O)C)=C(OC(=O)C)C=C6C4OC3=C2)C1)C

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isomeric SMILES

CC(=O)Oc1cc(/C=C/c2ccc3c(c2)O[C@H]2c4cc(OC(C)=O)c(OC(C)=O)cc4-c4c(OC(C)=O)cc(OC(C)=O)cc4[C@@H]2O3)cc(OC(C)=O)c1

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found in taxon

Senna garrettiana

1 reference

stated in

Stilbenoids from Cassia garrettiana

Identifiers

InChI

InChI=1S/C40H32O14/c1-19(41)47-27-11-26(12-28(14-27)48-20(2)42)8-7-25-9-10-33-34(13-25)54-39-31-18-36(51-23(5)45)35(50-22(4)44)17-30(31)38-32(40(39)53-33)15-29(49-21(3)43)16-37(38)52-24(6)46/h7-18,39-40H,1-6H3/b8-7+/t39-,40-/m0/s1

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InChIKey

SDJWLMPMAVSKCD-DWIJEPTLSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SDJWLMPMAVSKCD-DWIJEPTLSA-N

(Q105250688)

[3-acetyloxy-5-[(E)-2-[(8bS,14aS)-2,4,6,7-tetraacetyloxy-8b,14a-dihydrophenanthro[9,10-b][1,4]benzodioxin-11-yl]ethenyl]phenyl] acetate

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