(Q105228983)

English

methyl (1R,2S,3R,6R,13S,15R,17S)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

group of stereoisomers with the chemical formula C₂₉H₃₈O₁₆

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instance of

group of stereoisomers

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1 reference

642.215985136 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₃₈O₁₆

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canonical SMILES

O=C(OC1C(=O)OC2CC3C(=C(OC4OC(CO)C(O)C(O)C4O)C(=O)CC3(C)C5C(O)C(O)C6(OCC25C16)C(=O)OC)C)C

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isomeric SMILES

COC(=O)[C@@]12OC[C@]34C([C@@H](O)C1O)[C@@]1(C)CC(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(C)C1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24

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Identifiers

InChI

InChI=1S/C29H38O16/c1-9-11-5-14-28-8-41-29(26(39)40-4,22(28)20(24(38)44-14)42-10(2)31)23(37)18(36)21(28)27(11,3)6-12(32)19(9)45-25-17(35)16(34)15(33)13(7-30)43-25/h11,13-18,20-23,25,30,33-37H,5-8H2,1-4H3/t11?,13-,14-,15-,16+,17-,18-,20-,21?,22-,23?,25+,27+,28-,29+/m1/s1

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InChIKey

QVXFIBXCQCYPLP-ZGDDUXDGSA-N

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PubChem CID

6324813

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QVXFIBXCQCYPLP-ZGDDUXDGSA-N

(Q105228983)

methyl (1R,2S,3R,6R,13S,15R,17S)-3-(acetyloxy)-15,16-dihydroxy-9,13-dimethyl-4,11-dioxo-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-ene-17-carboxylate

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