(Q105031541)

English

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

chemical compound

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type of chemical entity

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1 reference

2-[5-(Hydroxymethyl)-2-(3-hydroxy-4-methylpent-4-enyl)-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

432.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(E)-2-[(1S,2S,7R)-5-(hydroxymethyl)-2-[(3R)-3-hydroxy-4-methylpent-4-enyl]-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

C₂₅H₃₆O₆

0 references

canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Viburnum odoratissimum

1 reference

stated in

Vibsane diterpenoids from the leaves and flowers of Viburnum odoratissimum

Viburnum odoratissimum var. awabuki

1 reference

stated in

Structures of New Seven-Membered Ring Vibsane-Type Diterpenes Isolated from Leaves of Viburnum awabuki.

Identifiers

InChI

InChI=1S/C25H36O6/c1-16(2)13-23(29)31-12-9-21-20(14-18(5)27)24(30)19(15-26)7-10-25(21,6)11-8-22(28)17(3)4/h7,9,12-13,20-22,26,28H,3,8,10-11,14-15H2,1-2,4-6H3/b12-9+/t20-,21-,22+,25+/m0/s1

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InChIKey

HOUIWALHPPJDOP-YKJDISKGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HOUIWALHPPJDOP-YKJDISKGSA-N

1 reference

(Q105031541)

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

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