(Q110187440)

English

(5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(4E)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl]tridecyl]-5-methyl-5H-furan-2-one

group of stereoisomers with the chemical formula C₃₇H₆₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

606.485939832 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₆₆O₆

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canonical SMILES

O=C1OC(C=C1CC(O)CCCCCCCCCCC(O)C2OC(CC2)C(O)CCC=CCCCCCCCCCC)C

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isomeric SMILES

CCCCCCCCCC/C=C/CCC(O)[C@@H]1CC[C@H]([C@H](O)CCCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)O1

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Identifiers

InChI

InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15+/t30-,32+,33?,34+,35-,36+/m0/s1

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InChIKey

OZWNHDYKRQUFSF-WFCWDJOOSA-N

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PubChem CID

101926324

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based on heuristic

inferred from InChIKey

ChEBI ID

172137

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15+/t30-,32+,33?,34+,35-,36+/m0/s1

(Q110187440)

(5S)-3-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(4E)-1-hydroxypentadec-4-en-1-yl]oxolan-2-yl]tridecyl]-5-methyl-5H-furan-2-one

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