(Q105131163)

English

(1R)-7-Isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta,4beta-diol bis[(Z)-2-methyl-2-butenoate]

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1,8a-dimethyl-4-(2-methylbut-2-enoyloxy)-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

414.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2S,4R,8aR)-1,8a-dimethyl-4-[(E)-2-methylbut-2-enoyl]oxy-6-oxo-7-propan-2-ylidene-2,3,4,8-tetrahydro-1H-naphthalen-2-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₅

0 references

canonical SMILES

O=C(OC1C2=CC(=O)C(=C(C)C)CC2(C)C(C)C(OC(=O)C(=CC)C)C1)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C[C@@H](OC(=O)/C(C)=C\C)C2=CC(=O)C(=C(C)C)C[C@]2(C)[C@H]1C

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found in taxon

Robinsonecio gerberifolius

1 reference

stated in

New oplopane and eremophilane derivatives from Robinsonecio gerberifolius

Identifiers

InChI

InChI=1S/C25H34O5/c1-9-15(5)23(27)29-21-12-22(30-24(28)16(6)10-2)19-11-20(26)18(14(3)4)13-25(19,8)17(21)7/h9-11,17,21-22H,12-13H2,1-8H3/b15-9-,16-10-/t17-,21-,22+,25+/m0/s1

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InChIKey

JLWLTGDPOZAAAS-LFVPMXKCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JLWLTGDPOZAAAS-LFVPMXKCSA-N

1 reference

(Q105131163)

(1R)-7-Isopropylidene-1,2,3,4,6,7,8,8a-octahydro-1beta,8abeta-dimethyl-6-oxonaphthalene-2beta,4beta-diol bis[(Z)-2-methyl-2-butenoate]

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