(Q105007910)

English

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

group of stereoisomers with the chemical formula C₃₆H₅₄O₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

566.397124828 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₅

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canonical SMILES

O=C(C(C)CC)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

CCC(C)C(=O)[C@]12C(=O)[C@]3(CC=C(C)C)OC1(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]2(C)CCC=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/C36H54O5/c1-12-27(10)29(37)35-31(39)34(21-18-26(8)9)30(38)33(20-17-25(6)7,36(35,40)41-34)22-28(16-15-24(4)5)32(35,11)19-13-14-23(2)3/h14-15,17-18,27-28,40H,12-13,16,19-22H2,1-11H3/t27?,28-,32+,33+,34+,35+,36?/m0/s1

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InChIKey

GFZOJCUWHCAKMY-CEMVVXTDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GFZOJCUWHCAKMY-CEMVVXTDSA-N

1 reference

(Q105007910)

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

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Identifiers

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