(Q105263234)

English

methyl (7R,15S)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-[(2S)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

group of stereoisomers with the chemical formula C₃₁H₂₄O₁₂

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instance of

group of stereoisomers

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1 reference

588.126776208 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₁H₂₄O₁₂

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canonical SMILES

O=C1OC(CC1)C2(OC=3C=C4C(=C(O)C3C(=O)C2)C5C=CC6(C(=O)C7=CC(=CC(O)=C7C(=O)C6(O)C5=O)C)C4)C(=O)OC

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isomeric SMILES

COC(=O)[C@]1([C@@H]2CCC(=O)O2)CC(=O)c2c(cc3c(c2O)C2C=CC4(C3)C(=O)c3cc(C)cc(O)c3C(=O)[C@@]4(O)C2=O)O1

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Identifiers

InChI

InChI=1S/C31H24O12/c1-12-7-15-22(16(32)8-12)27(38)31(40)26(37)14-5-6-29(31,25(15)36)10-13-9-18-23(24(35)21(13)14)17(33)11-30(43-18,28(39)41-2)19-3-4-20(34)42-19/h5-9,14,19,32,35,40H,3-4,10-11H2,1-2H3/t14?,19-,29?,30+,31-/m0/s1

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InChIKey

SXOFSFPEYSEIJC-NGOBTPSHSA-N

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PubChem CID

3009275

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SXOFSFPEYSEIJC-NGOBTPSHSA-N

1 reference

(Q105263234)

methyl (7R,15S)-11,15,18-trihydroxy-20-methyl-9,14,16,23-tetraoxo-7-[(2S)-5-oxooxolan-2-yl]-6-oxahexacyclo[11.10.2.0¹,¹⁵.0³,¹².0⁵,¹⁰.0¹⁷,²²]pentacosa-3,5(10),11,17,19,21,24-heptaene-7-carboxylate

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