(Q105329696)

English

(3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

group of stereoisomers with the chemical formula C₃₁H₄₂O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

574.2777975439999 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₄₂O₁₀

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canonical SMILES

O=C(OC1C(O)C(OC2(OCC=3C=C(O)C=C(O)C32)C1O)CO)C=CC=CCC(O)C(=CC=CCCC(C)CC)C

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isomeric SMILES

CCC(C)CC/C=C/C=C(\C)C(O)C/C=C/C=C/C(=O)O[C@H]1[C@H](O)[C@@H](CO)OC2(OCc3cc(O)cc(O)c32)[C@@H]1O

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Identifiers

InChI

InChI=1S/C31H42O10/c1-4-19(2)11-7-5-8-12-20(3)23(34)13-9-6-10-14-26(36)40-29-28(37)25(17-32)41-31(30(29)38)27-21(18-39-31)15-22(33)16-24(27)35/h5-6,8-10,12,14-16,19,23,25,28-30,32-35,37-38H,4,7,11,13,17-18H2,1-3H3/b8-5+,9-6+,14-10+,20-12+/t19?,23?,25-,28-,29+,30-,31?/m1/s1

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InChIKey

XKSZJTQIZHUMGA-KDCKXVQZSA-N

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PubChem CID

6450326

1 reference

based on heuristic

inferred from InChIKey

1 reference

(Q105329696)

(3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxan]-4'-yl (2E,4E,8E,10E)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

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