(Q105298261)

English

(2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-4,6,11-tris(acetyloxy)-5-[(acetyloxy)methyl]-2,3-dihydroxy-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0²,¹⁵.0⁵,¹⁰]heptadecan-8-yl (2E)-3-phenylprop-2-enoate

group of stereoisomers with the chemical formula C₃₇H₄₄O₁₄

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instance of

group of stereoisomers

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712.2731060879998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₄₄O₁₄

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canonical SMILES

O=C(OC1C(=C)C2C(OC(=O)C)C3CC(=O)C4(OCC3(C)C4(O)C(O)C(OC(=O)C)C2(COC(=O)C)C(OC(=O)C)C1)C)C=CC=5C=CC=CC5

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isomeric SMILES

C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(C)=O)[C@H](O)[C@]3(O)C4(C)CO[C@]3(C)C(=O)C[C@H]4[C@@H](OC(C)=O)[C@H]12

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Identifiers

InChI

InChI=1S/C37H44O14/c1-19-26(51-29(43)14-13-24-11-9-8-10-12-24)16-28(48-21(3)39)36(18-46-20(2)38)30(19)31(49-22(4)40)25-15-27(42)35(7)37(45,34(25,6)17-47-35)32(44)33(36)50-23(5)41/h8-14,25-26,28,30-33,44-45H,1,15-18H2,2-7H3/b14-13+/t25-,26-,28-,30-,31+,32-,33-,34?,35+,36+,37-/m0/s1

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InChIKey

VWSUJEGUHSFZDW-YVIIILJTSA-N

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PubChem CID

6326132

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matched by identifier from

InChIKey

VWSUJEGUHSFZDW-YVIIILJTSA-N

(Q105298261)

(2R,3S,4R,5R,6S,8S,10R,11R,12R,15S)-4,6,11-tris(acetyloxy)-5-[(acetyloxy)methyl]-2,3-dihydroxy-1,15-dimethyl-9-methylidene-14-oxo-16-oxatetracyclo[10.5.0.0²,¹⁵.0⁵,¹⁰]heptadecan-8-yl (2E)-3-phenylprop-2-enoate

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