(Q104957770)

English

methyl (2S,6R,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,9,10,10a-hexahydrobenzo[f]isochromene-7-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

Methyl 2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,9,10,10a-hexahydrobenzo[f]isochromene-7-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

550.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

Dehydroborapetoside B

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₄O₁₂

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canonical SMILES

O=C(OC)C1=CC(O)CC2C3(C(=CC(OC4OC(CO)C(O)C(O)C4O)C12C)C(=O)OC(C5=COC=C5)C3)C

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isomeric SMILES

COC(=O)C1=C[C@H](O)C[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)C3=C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C

0 references

found in taxon

Tinospora cordifolia

1 reference

stated in

Aporphine alkaloids, clerodane diterpenes, and other constituents from Tinospora cordifolia

Identifiers

InChI

InChI=1S/C27H34O12/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/h4-6,8,11,13,16-22,25,28-32H,7,9-10H2,1-3H3/t13-,16-,17+,18-,19+,20+,21-,22+,25-,26+,27-/m0/s1

0 references

InChIKey

CGKGCFDWGXCUDW-VRSYXUEZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CGKGCFDWGXCUDW-VRSYXUEZSA-N

(Q104957770)

methyl (2S,6R,6aR,9R,10aS,10bS)-2-(furan-3-yl)-9-hydroxy-6a,10b-dimethyl-4-oxo-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,6,9,10,10a-hexahydrobenzo[f]isochromene-7-carboxylate

Statements

Identifiers

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