(Q82996264)

English

Kahweol palmitate

group of stereoisomers with the chemical formula C₃₆H₅₆O₄

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Statements

group of stereoisomers

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chemical compound

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552.417860272 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₆H₅₆O₄

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canonical SMILES

O=C(OCC1(O)CC23CCC4C=5C=COC5C=CC4(C)C3CCC1C2)CCCCCCCCCCCCCCC

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isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCC1(O)CC23CC[C@@H]4c5ccoc5C=CC4(C)C2CCC1C3

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Identifiers

InChI=1S/C36H56O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-33(37)40-27-36(38)26-35-23-19-30-29-21-24-39-31(29)20-22-34(30,2)32(35)18-17-28(36)25-35/h20-22,24,28,30,32,38H,3-19,23,25-27H2,1-2H3/t28?,30-,32?,34?,35?,36?/m1/s1

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UMZARYXKQBKPOL-WDFKVAFYSA-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

DTXSID701002185

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DSSTOX compound identifier

DTXCID501429121

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