(Q82881912)

English

3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)-

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1R,14R)-14-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.0^{3,12.0^{4,9.0^{15,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one

1 reference

based on heuristic

inferred from SMILES

mass

410.136553044 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(7aS)-13,13aalpha-Dihydro-7abeta-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis[1]benzopyrano[3,4-b:6',5'-e]pyran-7(7aH)-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₂O₇

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canonical SMILES

O=C1C2=CC=C3OC(C=CC3=C2OC4COC5=CC(OC)=C(OC)C=C5C14O)(C)C

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isomeric SMILES

CC1(C=CC2=C(O1)C=CC3=C2O[C@H]4COC5=CC(=C(C=C5[C@]4(C3=O)O)OC)OC)C

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found in taxon

Tephrosia virginiana

1 reference

stated in

The Non-crystalline Constituents of Tephrosia virginiana Roots

Tephrosia vogelii

1 reference

stated in

Über die toxischen Bestandteile der Samen von Tephrosia Vogelii. Vorläufige Mitteilung

Identifiers

InChI

InChI=1S/C23H22O7/c1-22(2)8-7-12-15(30-22)6-5-13-20(12)29-19-11-28-16-10-18(27-4)17(26-3)9-14(16)23(19,25)21(13)24/h5-10,19,25H,11H2,1-4H3/t19-,23-/m0/s1

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InChIKey

AQBZCCQCDWNNJQ-CVDCTZTESA-N

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1 reference

matched by identifier from

InChIKey

AQBZCCQCDWNNJQ-CVDCTZTESA-N

1 reference

1 reference

matched by identifier from

InChIKey

AQBZCCQCDWNNJQ-CVDCTZTESA-N

DSSTOX compound identifier

DTXCID901340767

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(Q82881912)

3H-Bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one, 13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-, (7aS-cis)-

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