(Q105250665)

English

[(2R,3S,4R,8R,9R,11S)-3-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-[(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

496.282489 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₀O₆

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)CC(C)C)CC3(OC(=CC3=O)C(C)C2CC4=CCC5CC4C5(C)C)C

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isomeric SMILES

C=C1C(=O)O[C@@H]2[C@@H](CC3=CC[C@H]4C[C@@H]3C4(C)C)[C@@H](C)C3=CC(=O)[C@](C)(C[C@@H](OC(=O)CC(C)C)[C@@H]12)O3

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found in taxon

Calea rupicola

1 reference

stated in

A myrtenylfuroheliangolide from Calea rupicola

Identifiers

InChI

InChI=1S/C30H40O6/c1-15(2)10-25(32)34-23-14-30(7)24(31)13-22(36-30)16(3)20(27-26(23)17(4)28(33)35-27)11-18-8-9-19-12-21(18)29(19,5)6/h8,13,15-16,19-21,23,26-27H,4,9-12,14H2,1-3,5-7H3/t16-,19+,20+,21+,23-,26-,27-,30+/m1/s1

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InChIKey

SDILDHKYCWNUOB-QURRUHOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SDILDHKYCWNUOB-QURRUHOYSA-N

(Q105250665)

[(2R,3S,4R,8R,9R,11S)-3-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-2,11-dimethyl-7-methylidene-6,12-dioxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-1(13)-en-9-yl] 3-methylbutanoate

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Identifiers

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