(Q110180499)

English

[(8S,9S,10S)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

522.18898254 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₀O₉

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canonical SMILES

O=C(OC1C2=CC(OC)=C(OC)C(OC)=C2C=3C(O)=C4OCOC4=CC3CC(C)C1(O)C)C=5C=CC=CC5

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isomeric SMILES

COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1O)OCO3)C[C@H](C)[C@](C)(O)[C@H]2OC(=O)c1ccccc1

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found in taxon

Schisandra sphenanthera

1 reference

stated in

Lignans from Schisandra sphenathera Rehd. et Wils. and semisynthetic schisantherin A analogues: absolute configuration, and their estrogenic and anti-proliferative activity.

Identifiers

InChI

InChI=1S/C29H30O9/c1-15-11-17-12-20-24(37-14-36-20)23(30)21(17)22-18(13-19(33-3)25(34-4)26(22)35-5)27(29(15,2)32)38-28(31)16-9-7-6-8-10-16/h6-10,12-13,15,27,30,32H,11,14H2,1-5H3/t15-,27-,29-/m0/s1

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InChIKey

VJGNXZQPNWMFAQ-SSEZWIOCSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VJGNXZQPNWMFAQ-SSEZWIOCSA-N

1 reference

(Q110180499)

[(8S,9S,10S)-9,19-dihydroxy-3,4,5-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate

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Identifiers

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