(Q105199711)

English

3-propyl-6-[(3S,4E,7E,10E,12E,15R,16R,17S,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one

group of stereoisomers with the chemical formula C₃₄H₅₂O₅

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

540.3814747639999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₄H₅₂O₅

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canonical SMILES

O=C1OC(=CC=C1CCC)C(C)C(O)C(=CCC=C(C)CC(=CC(=CCC(O)C(C)C(O)C(=CC)C)C)C)C

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isomeric SMILES

C/C=C(\C)[C@@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)C(C)c1ccc(CCC)c(=O)o1

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Identifiers

InChI

InChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+/t27-,28?,30-,32-,33-/m1/s1

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InChIKey

OTNYCNDIGKWKTO-RPPSHZPNSA-N

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PubChem CID

101692351

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OTNYCNDIGKWKTO-RPPSHZPNSA-N

1 reference

(Q105199711)

3-propyl-6-[(3S,4E,7E,10E,12E,15R,16R,17S,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one

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