(Q105342442)

English

methyl (4aR,6aR,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4aH,5H,6H,9H,10H,10aH-naphtho[2,1-c]pyran-7-carboxylate

group of stereoisomers with the chemical formula C₂₇H₃₆O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

552.2206765919998 dalton

2 references

based on heuristic

inferred from SMILES

based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₇H₃₆O₁₂

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canonical SMILES

O=C(OC)C1=CC(O)CC2C1(C)C(OC3OC(CO)C(O)C(O)C3O)CC4C(=O)OC(C5=COC=C5)CC42C

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isomeric SMILES

COC(=O)C1=CC(O)C[C@H]2[C@]3(C)CC(c4ccoc4)OC(=O)[C@@H]3CC(OC3OC(CO)C(O)C(O)C3O)[C@@]12C

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Identifiers

InChI

InChI=1S/C27H36O12/c1-26-9-16(12-4-5-36-11-12)37-24(34)14(26)8-19(39-25-22(32)21(31)20(30)17(10-28)38-25)27(2)15(23(33)35-3)6-13(29)7-18(26)27/h4-6,11,13-14,16-22,25,28-32H,7-10H2,1-3H3/t13?,14-,16?,17?,18-,19?,20?,21?,22?,25?,26+,27-/m0/s1

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InChIKey

XUOAZZCHOKUHCF-RPJRUZDQSA-N

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PubChem CID

137706089

1 reference

matched by identifier from

InChIKey

XUOAZZCHOKUHCF-RPJRUZDQSA-N

(Q105342442)

methyl (4aR,6aR,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,4aH,5H,6H,9H,10H,10aH-naphtho[2,1-c]pyran-7-carboxylate

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