(Q82651329)

English

(9Z,21Z)-2-Hydroxy-11-methoxy-3,7,12,15,15,18,20,24,32-nonamethyl-8,14,16,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~13,17~.0~5,30~]tritriaconta-1(30),2,4,9,21,23,27-heptaene-6,19,25,29,31-pentone (non-preferred name)

group of stereoisomers with the chemical formula C₃₈H₄₅NO₁₁

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

691.29926126 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₅NO₁₁

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based on heuristic

inferred from SMILES

canonical SMILES

COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=C/C=C\C(C)C(=O)C(C)C2OC(C)(C)OC(C1C)C2C)C4=O

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based on heuristic

inferred from InChI

isomeric SMILES

COC1/C=C\OC2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C=C(NC(=O)C(C)=C/C=C\C(C)C(=O)C(C)C2OC(C)(C)OC(C1C)C2C)C4=O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C38H45NO11/c1-17-12-11-13-18(2)36(45)39-23-16-24(40)26-27(31(23)43)30(42)21(5)34-28(26)35(44)38(9,50-34)47-15-14-25(46-10)19(3)32-22(6)33(20(4)29(17)41)49-37(7,8)48-32/h11-17,19-20,22,25,32-33,42H,1-10H3,(H,39,45)/b12-11-,15-14-,18-13?

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InChIKey

DEQBHDMBHIWZFU-SQRYDWLGSA-N

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26 December 2021

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DSSTOX compound identifier

DTXCID80665217

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NSC number

269421

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(Q82651329)

(9Z,21Z)-2-Hydroxy-11-methoxy-3,7,12,15,15,18,20,24,32-nonamethyl-8,14,16,33-tetraoxa-26-azapentacyclo[25.3.1.1~4,7~.1~13,17~.0~5,30~]tritriaconta-1(30),2,4,9,21,23,27-heptaene-6,19,25,29,31-pentone (non-preferred name)

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