(Q105180442)

English

(E)-1-[(1R,4S,5R,13R)-9-hydroxy-1,5-dimethyl-5-(4-methylpent-3-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-10-yl]-3-phenylprop-2-en-1-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

1-[9-Hydroxy-1,5-dimethyl-5-(4-methylpent-3-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-10-yl]-3-phenylprop-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

458.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₄O₄

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canonical SMILES

O=C(C=CC=1C=CC=CC1)C2=C(O)C=C3OC(C)(CCC=C(C)C)C4CCC5(OC2=C3C4C5)C

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isomeric SMILES

CC(C)=CCC[C@@]1(C)Oc2cc(O)c(C(=O)/C=C/c3ccccc3)c3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3

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found in taxon

Alpinia katsumadai

1 reference

stated in

A pair of unique sesquiterpene–chalcone conjugates isolated from the seeds of Alpinia katsumadai

Alpinia hainanensis

1 reference

stated in

A pair of unique sesquiterpene–chalcone conjugates isolated from the seeds of Alpinia katsumadai

Identifiers

InChI

InChI=1S/C30H34O4/c1-19(2)9-8-15-30(4)22-14-16-29(3)18-21(22)26-25(33-30)17-24(32)27(28(26)34-29)23(31)13-12-20-10-6-5-7-11-20/h5-7,9-13,17,21-22,32H,8,14-16,18H2,1-4H3/b13-12+/t21-,22+,29-,30-/m1/s1

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InChIKey

NKBUISMJNXPLNL-ZFFBENFFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NKBUISMJNXPLNL-ZFFBENFFSA-N

(Q105180442)

(E)-1-[(1R,4S,5R,13R)-9-hydroxy-1,5-dimethyl-5-(4-methylpent-3-enyl)-6,15-dioxatetracyclo[9.3.1.04,13.07,12]pentadeca-7(12),8,10-trien-10-yl]-3-phenylprop-2-en-1-one

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