(Q105177223)

English

(2S,3R,4S)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-13-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate

group of stereoisomers with the chemical formula C₄₂H₇₄O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

818.5027716680002 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₂H₇₄O₁₅

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canonical SMILES

O=C(OCC(O)C(O)C(O)CO)C(=CC(C)C(O)C(=CC(C)C(O)C(=CC(C)C(OC1OC(COC(=O)C)C(O)C(O)C1O)C(C)CC(C)CC(C)CC)C)C)C

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isomeric SMILES

CCC(C)CC(C)CC(C)C(O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O)C(C)/C=C(\C)C(O)C(C)/C=C(\C)C(O)C(C)/C=C(\C)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)CO

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Identifiers

InChI

InChI=1S/C42H74O15/c1-12-21(2)13-22(3)14-27(8)40(57-42-39(52)38(51)37(50)33(56-42)20-54-30(11)44)28(9)16-25(6)34(47)23(4)15-24(5)35(48)26(7)17-29(10)41(53)55-19-32(46)36(49)31(45)18-43/h15-17,21-23,26-28,31-40,42-43,45-52H,12-14,18-20H2,1-11H3/b24-15+,25-16+,29-17+/t21?,22?,23?,26?,27?,28?,31-,32-,33+,34?,35?,36+,37+,38-,39-,40?,42-/m0/s1

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InChIKey

NCIXLNTUPVOTSJ-FQNZKPCJSA-N

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PubChem CID

6918470

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

NCIXLNTUPVOTSJ-FQNZKPCJSA-N

1 reference

(Q105177223)

(2S,3R,4S)-2,3,4,5-tetrahydroxypentyl (2E,6E,10E)-13-{[(2R,3S,4S,5S,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-5,9-dihydroxy-2,4,6,8,10,12,14,16,18-nonamethylicosa-2,6,10-trienoate

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