(Q82915437)

English

(2S)-2-methyl-4-[(2R,12R,15R)-2,12,15-trihydroxy-15-[(5R)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]pentadecyl]-2H-furan-5-one

chemical compound

In more languages

Statements

group of stereoisomers

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chemical compound

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624.496504516 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₇H₆₈O₇

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCC(O)CCC(O)C2OC(CC2)C(O)CCCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCCCC[C@H](O)[C@H]1CCC([C@H](O)CC[C@H](O)CCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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Identifiers

InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-13-16-19-22-33(40)35-25-26-36(44-35)34(41)24-23-31(38)20-17-14-11-10-12-15-18-21-32(39)28-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32+,33-,34+,35+,36?/m0/s1

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XNZJLZFJXAKNCP-BVBFTAESSA-N

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CAS Registry Number

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26 December 2021

mapping relation type

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ChEBI release 2022-06-13

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID201367514

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