(Q105247606)

English

(1R,9S,13S,21R)-7,17-dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde

chemical compound

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type of chemical entity

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subclass of

7,17-Dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

(9S,13S,21R)-7,17-dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

524.183503236 dalton

1 reference

1 reference

(1S,9R,13R,21S)-7,17-dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₂₈O₇

0 references

canonical SMILES

O=CC1=CC(O)=C2C(OC3(OC4=CC(O)=CC=C4C5CC(=CC2C53)C)C6=CC=C(O)C=7C=CC(OC76)(C)C)=C1

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isomeric SMILES

CC1=C[C@@H]2c3c(O)cc(C=O)cc3O[C@]3(c4ccc(O)c5c4OC(C)(C)C=C5)Oc4cc(O)ccc4[C@@H](C1)[C@H]23

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found in taxon

Sorocea bonplandii

1 reference

stated in

Three New Diels-Alder Type Adducts from the Roots of Sorocea bonplandii Baillon

Identifiers

InChI

InChI=1S/C32H28O7/c1-16-10-21-19-5-4-18(34)14-26(19)37-32(23-6-7-24(35)20-8-9-31(2,3)39-30(20)23)29(21)22(11-16)28-25(36)12-17(15-33)13-27(28)38-32/h4-9,11-15,21-22,29,34-36H,10H2,1-3H3/t21-,22-,29-,32+/m1/s1

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InChIKey

RYHSERHDCIACPJ-UWIQDFHRSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105247606)

(1R,9S,13S,21R)-7,17-dihydroxy-1-(5-hydroxy-2,2-dimethylchromen-8-yl)-11-methyl-2,20-dioxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,10,14(19),15,17-heptaene-5-carbaldehyde

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