(Q105246287)

English

(2S,9R,13R,14S,15R,17R)-14-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-11-{[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-16-yl acetate

group of stereoisomers with the chemical formula C₃₀H₄₆O₁₃

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instance of

group of stereoisomers

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1 reference

614.293841532 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₄₆O₁₃

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canonical SMILES

O=C(OC1C(OC)C(O)(C)C2CC(OC3OC(CO)C(O)C(O)C3O)OC4CC5C(C=C(OC)C(=O)C5(C)C1C42C)C)C

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isomeric SMILES

COC1=CC(C)C2C[C@H]3OC(O[C@@H]4O[C@H](CO)C(O)[C@H](O)C4O)C[C@H]4[C@](C)(O)[C@H](OC)C(OC(C)=O)C([C@@]2(C)C1=O)[C@@]34C

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Identifiers

InChI

InChI=1S/C30H46O13/c1-12-8-15(38-6)25(36)28(3)14(12)9-18-29(4)17(30(5,37)26(39-7)23(24(28)29)40-13(2)32)10-19(42-18)43-27-22(35)21(34)20(33)16(11-31)41-27/h8,12,14,16-24,26-27,31,33-35,37H,9-11H2,1-7H3/t12?,14?,16-,17-,18-,19?,20?,21+,22?,23?,24?,26-,27+,28+,29-,30+/m1/s1

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InChIKey

RVSPJJOFLXFFDA-PQOWMCNOSA-N

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PubChem CID

5320577

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RVSPJJOFLXFFDA-PQOWMCNOSA-N

1 reference

(Q105246287)

(2S,9R,13R,14S,15R,17R)-14-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-3-oxo-11-{[(2S,4S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-en-16-yl acetate

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