(Q104934187)

English

[(1R,2Z,4S,6Z,9Z,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[11-Hydroxy-7-(hydroxymethyl)-4-(4-hydroxy-4-methylpent-2-enyl)-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

432.251188872 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2E,4S,6Z,9Z,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₆O₆

0 references

canonical SMILES

O=C(OC1C=CC(C)(CC=CC(O)(C)C)CC=C(C(=O)C=CC1(O)C)CO)C=C(C)C

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isomeric SMILES

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

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found in taxon

Viburnum odoratissimum

1 reference

stated in

New vibsane diterpenes and lupane triterpenes from Viburnum odoratissimum

Identifiers

InChI

InChI=1S/C25H36O6/c1-18(2)16-22(28)31-21-10-14-24(5,12-7-11-23(3,4)29)13-8-19(17-26)20(27)9-15-25(21,6)30/h7-11,14-16,21,26,29-30H,12-13,17H2,1-6H3/b11-7+,14-10-,15-9-,19-8-/t21-,24+,25-/m1/s1

0 references

InChIKey

BFHUVBRMXMQPJH-XRFIOWEESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BFHUVBRMXMQPJH-XRFIOWEESA-N

1 reference

(Q104934187)

[(1R,2Z,4S,6Z,9Z,11R)-11-hydroxy-7-(hydroxymethyl)-4-[(E)-4-hydroxy-4-methylpent-2-enyl]-4,11-dimethyl-8-oxocycloundeca-2,6,9-trien-1-yl] 3-methylbut-2-enoate

Statements

Identifiers

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