(Q105112401)

English

(1R,3R,4R,5S,7R)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

group of stereoisomers with the chemical formula C₃₅H₅₂O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

552.381474764 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₅H₅₂O₅

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canonical SMILES

O=C(C(C)C)C12C(=O)C3(OC1(O)C(C3=O)(CC=C(C)C)CC(CC=C(C)C)C2(C)CCC=C(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]2(CC=C(C)C)C(=O)[C@@]3(CC=C(C)C)OC2(O)[C@]1(C(=O)C(C)C)C3=O

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found in taxon

Hypericum henryi

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stated in

Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi

Identifiers

InChI

InChI=1S/C35H52O5/c1-22(2)13-12-18-31(11)27(15-14-23(3)4)21-32(19-16-24(5)6)29(37)33(20-17-25(7)8)30(38)34(31,28(36)26(9)10)35(32,39)40-33/h13-14,16-17,26-27,39H,12,15,18-21H2,1-11H3/t27-,31+,32+,33+,34+,35?/m0/s1

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InChIKey

IFUPNXPBDBNEAO-SVROTJEJSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IFUPNXPBDBNEAO-SVROTJEJSA-N

1 reference

(Q105112401)

(1R,3R,4R,5S,7R)-8-hydroxy-4-methyl-1,5,7-tris(3-methylbut-2-enyl)-4-(4-methylpent-3-enyl)-3-(2-methylpropanoyl)-9-oxatricyclo[5.2.1.03,8]decane-2,10-dione

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Identifiers

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