(Q104970311)

English

2-[6-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

group of stereoisomers with the chemical formula C₄₅H₄₄O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

776.283276848 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₅H₄₄O₁₂

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canonical SMILES

O=C(C1=CC=C(O)C(=C1O)CC=C(C)C)C2C(C=C(C)CC2C3=CC=C(O)C=C3O)C4=C(O)C=C5OC6(O)C7=CC=C(O)C=C7OC6(C(=O)C5=C4O)CC=C(C)C

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found in taxon

Morus alba

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stated in

Structures of Sanggenons E and P, Two New Diles-Alder Type Adducts from the Chinese Crude Drug "Sang-Bai-Pi" (Morus Root Bark)

stated in

Absolute Configuration of Natural Diels-Alder Type Adducts from the Morus Root Bark

stated in

Structure of Mulberrofuran P, a Novel 2-Arylbenzofuran Derivative from the Cultivated Mulberry Tree (Morus alba L.)

Morus mongolica

1 reference

stated in

Structures of Sanggenons E and P, Two New Diles-Alder Type Adducts from the Chinese Crude Drug "Sang-Bai-Pi" (Morus Root Bark)

Identifiers

InChI

InChI=1S/C45H44O12/c1-21(2)6-9-27-32(48)13-11-28(40(27)51)41(52)37-29(26-10-7-24(46)18-33(26)49)16-23(5)17-30(37)38-34(50)20-36-39(42(38)53)43(54)44(15-14-22(3)4)45(55,57-36)31-12-8-25(47)19-35(31)56-44/h6-8,10-14,17-20,29-30,37,46-51,53,55H,9,15-16H2,1-5H3

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InChIKey

CUJJTBMGUHNKPO-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q104970311)

2-[6-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-1,3,5a,8-tetrahydroxy-10a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one

Statements

Identifiers

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