(Q105283925)

English

8-[(1S,6R)-6-[(R)-(5,7-dimethoxy-2-oxochromen-8-yl)(hydroxy)methyl]-3,5,5-trimethylcyclohex-2-en-1-yl]-5,7-dimethoxychromen-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

8-[6-[(5,7-Dimethoxy-2-oxochromen-8-yl)-hydroxymethyl]-3,5,5-trimethylcyclohex-2-en-1-yl]-5,7-dimethoxychromen-2-one

1 reference

based on heuristic

inferred from SMILES

mass

562.220282668 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₃₄O₉

0 references

canonical SMILES

O=C1OC2=C(C=C1)C(OC)=CC(OC)=C2C(O)C3C(C=C(C)CC3(C)C)C4=C(OC)C=C(OC)C=5C=CC(=O)OC54

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isomeric SMILES

COc1cc(OC)c2ccc(=O)oc2c1[C@H]1C=C(C)CC(C)(C)[C@@H]1[C@@H](O)c1c(OC)cc(OC)c2ccc(=O)oc12

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found in taxon

Toddalia asiatica

3 references

stated in

Toddalosin, a New Biscoumarin, from Toddalia asiatica (L.) LAM. (T. aculeata PERS.).

stated in

Studies on the Chemical Constituents of Rutaceous Plants. LXVI. The Chemical Constituents of Toddalia asiatica (L.) LAM. (T. aculeata PERS.). (1). Chemical Constituents of the Root Bark

stated in

Toddalosin, a New Biscoumarin, from Toddalia asiatica (L.) LAM. (T. aculeata PERS.).

Zanthoxylum asiaticum

2 references

stated in

Studies on the Chemical Constituents of Rutaceous Plants. LXVI. The Chemical Constituents of Toddalia asiatica (L.) LAM. (T. aculeata PERS.). (1). Chemical Constituents of the Root Bark

stated in

Toddalosin, a New Biscoumarin, from Toddalia asiatica (L.) LAM. (T. aculeata PERS.).

Identifiers

InChI

InChI=1S/C32H34O9/c1-16-12-19(26-22(38-6)13-20(36-4)17-8-10-24(33)40-30(17)26)28(32(2,3)15-16)29(35)27-23(39-7)14-21(37-5)18-9-11-25(34)41-31(18)27/h8-14,19,28-29,35H,15H2,1-7H3/t19-,28+,29+/m1/s1

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InChIKey

VCSIERORKAMAIV-FWEOMDSASA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105283925)

8-[(1S,6R)-6-[(R)-(5,7-dimethoxy-2-oxochromen-8-yl)(hydroxy)methyl]-3,5,5-trimethylcyclohex-2-en-1-yl]-5,7-dimethoxychromen-2-one

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