(Q72487962)

English

Macrocarpal H

chemical compound

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Statements

group of stereoisomers

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chemical compound

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472.28248899999994 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₈H₄₀O₆

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canonical SMILES

O=CC=1C(O)=C(C=O)C(O)=C(C1O)C(CC(C)C)C2CCC(=C)C3CC(CCC32C)C(O)(C)C

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isomeric SMILES

C=C1CC[C@@H](C(CC(C)C)c2c(O)c(C=O)c(O)c(C=O)c2O)[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12

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Identifiers

InChI=1S/C28H40O6/c1-15(2)11-18(23-25(32)19(13-29)24(31)20(14-30)26(23)33)21-8-7-16(3)22-12-17(27(4,5)34)9-10-28(21,22)6/h13-15,17-18,21-22,31-34H,3,7-12H2,1-2,4-6H3/t17-,18?,21+,22+,28+/m1/s1

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OOAOETHJYYAVCC-XWWMBYKISA-N

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CAS Registry Number

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1 reference

26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID601367716

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