(Q105221766)

English

[(E)-2-[(1R,2R,7R)-2-[(3S)-3,4-dihydroxy-4-methylpentyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-(3,4-Dihydroxy-4-methylpentyl)-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

450.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-2-[(1S,2S,7S)-2-[(3R)-3,4-dihydroxy-4-methylpentyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₈O₇

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canonical SMILES

O=C(OC=CC1C(C(=O)C(=CCC1(C)CCC(O)C(O)(C)C)CO)CC(=O)C)C=C(C)C

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isomeric SMILES

CC(=O)C[C@H]1C(=O)C(CO)=CC[C@@](C)(CC[C@H](O)C(C)(C)O)[C@@H]1/C=C/OC(=O)C=C(C)C

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found in taxon

Viburnum odoratissimum var. awabuki

1 reference

stated in

New diterpenoids from Viburnum awabuki

Identifiers

InChI

InChI=1S/C25H38O7/c1-16(2)13-22(29)32-12-9-20-19(14-17(3)27)23(30)18(15-26)7-10-25(20,6)11-8-21(28)24(4,5)31/h7,9,12-13,19-21,26,28,31H,8,10-11,14-15H2,1-6H3/b12-9+/t19-,20-,21+,25+/m1/s1

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InChIKey

QITBJTPHBLIQAN-MTSLZRTDSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QITBJTPHBLIQAN-MTSLZRTDSA-N

(Q105221766)

[(E)-2-[(1R,2R,7R)-2-[(3S)-3,4-dihydroxy-4-methylpentyl]-5-(hydroxymethyl)-2-methyl-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate

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