(Q105310008)

English

Dracophane

group of stereoisomers with the chemical formula C₄₈H₄₈O₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

768.329833116 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₄₈O₉

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canonical SMILES

OC1=CC=C(C=C1)C2C=3C=C(C(OC)=CC3O)CCC(C4=CC=C(O)C=C4)C=5C=C(C(OC)=CC5O)CCC(C6=CC=C(O)C=C6)C=7C=C2CCC(OC)=CC7O

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isomeric SMILES

CO/C1=C/C(O)=C2\C=C(/CC1)C(c1ccc(O)cc1)c1cc(c(OC)cc1O)CCC(c1ccc(O)cc1)c1cc(c(OC)cc1O)CCC2c1ccc(O)cc1

1 reference

2 references

Dracophane, a metacyclophane derivative from the resin of Dracaena cinnabari Balf

stated in

Dracophane, a Metacyclophane Derivative from the Resin of Dracaena cinnabari Balf.

Identifiers

InChI

InChI=1S/C48H48O9/c1-55-37-19-10-33-24-41(43(52)25-37)39(29-6-15-35(50)16-7-29)20-11-31-22-40(44(53)26-46(31)56-2)38(28-4-13-34(49)14-5-28)21-12-32-23-42(45(54)27-47(32)57-3)48(33)30-8-17-36(51)18-9-30/h4-9,13-18,22-27,38-39,48-54H,10-12,19-21H2,1-3H3/b33-24+,37-25+,43-41-

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InChIKey

WPKKLCUANHCUBD-HGICLDMLSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105310008)

Dracophane

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