(Q105146647)

English

(1R,5S,13S)-1,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one

chemical compound

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instance of

type of chemical entity

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subclass of

1,9,17,19-Tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one

1 reference

based on heuristic

inferred from SMILES

mass

542.121296904 dalton

1 reference

2 references

inferred from InChIKey

1 reference

(1R,5S,13R)-1,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one

1 reference

based on heuristic

inferred from InChI

(1S,5S,13R)-1,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaen-21-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₂O₁₀

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canonical SMILES

O=C1C=2C(O)=CC(O)=CC2OC3(OC4=CC(O)=C5C(OC(C6=CC=C(O)C=C6)CC5)=C4C13O)C7=CC=C(O)C=C7

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isomeric SMILES

O=C1c2c(O)cc(O)cc2O[C@]2(c3ccc(O)cc3)Oc3cc(O)c4c(c3[C@@]12O)O[C@H](c1ccc(O)cc1)CC4

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found in taxon

Daphne acutiloba

1 reference

stated in

Two biflavonoids from Daphne acutiloba

Daphne odora

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stated in

Biflavonoids from Daphne odora

Identifiers

InChI

InChI=1S/C30H22O10/c31-16-5-1-14(2-6-16)22-10-9-19-20(34)13-24-26(27(19)38-22)29(37)28(36)25-21(35)11-18(33)12-23(25)39-30(29,40-24)15-3-7-17(32)8-4-15/h1-8,11-13,22,31-35,37H,9-10H2/t22-,29+,30+/m0/s1

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InChIKey

KVPJDVHJFGPPAB-XOHQIPOJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVPJDVHJFGPPAB-XOHQIPOJSA-N

1 reference

(Q105146647)

(1R,5S,13S)-1,9,17,19-tetrahydroxy-5,13-bis(4-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-2,8,10,15,17,19-hexaen-21-one

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