(Q105186656)

English

(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylpentanoate

group of stereoisomers with the chemical formula C₂₅H₃₂O₉

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instance of

group of stereoisomers

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1 reference

476.2046326039999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₅H₃₂O₉

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canonical SMILES

O=C(OC1CC2C(=COC(OC(=O)CC(C)CC)C2C1(O)CO)CO)C=CC3=CC=C(O)C=C3

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isomeric SMILES

CCC(C)CC(=O)O[C@@H]1OC=C(CO)[C@H]2C[C@H](OC(=O)/C=C\c3ccc(O)cc3)[C@](O)(CO)[C@@H]12

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Identifiers

InChI

InChI=1S/C25H32O9/c1-3-15(2)10-22(30)34-24-23-19(17(12-26)13-32-24)11-20(25(23,31)14-27)33-21(29)9-6-16-4-7-18(28)8-5-16/h4-9,13,15,19-20,23-24,26-28,31H,3,10-12,14H2,1-2H3/b9-6-/t15?,19-,20+,23-,24+,25-/m1/s1

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InChIKey

NWKWZYXSZTVTRL-MKCVIAPTSA-N

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PubChem CID

11190726

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NWKWZYXSZTVTRL-MKCVIAPTSA-N

1 reference

(Q105186656)

(1S,4aS,6S,7R,7aS)-7-hydroxy-4,7-bis(hydroxymethyl)-6-{[(2Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-1H,4aH,5H,6H,7aH-cyclopenta[c]pyran-1-yl 3-methylpentanoate

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