(Q110186179)

English

[(1S,2S,4R,5S,6S,10S,11R,12R,14R,15R)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] (2E,4E)-deca-2,4-dienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5,6,11,14-Tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] deca-2,4-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

546.282882924 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₉

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canonical SMILES

O=C(OC1C2C3OC3(CO)C(O)C4(O)C(=O)C(=CC4C2(O)C(C)CC1(O)C(=C)C)C)C=CC=CCCCCC

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isomeric SMILES

C=C(C)[C@]1(O)C[C@@H](C)[C@@]2(O)[C@@H]([C@@H]3O[C@]3(CO)[C@@H](O)[C@]3(O)C(=O)C(C)=C[C@H]32)[C@H]1OC(=O)/C=C/C=C/CCCCC

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found in taxon

Stellera chamaejasme

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stated in

Biflavanones, diterpenes, and coumarins from the roots of Stellera chamaejasme L.

Wikstroemia retusa

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stated in

Minor daphnane-type diterpenoids from Wikstroemia retusa

Identifiers

InChI

InChI=1S/C30H42O9/c1-6-7-8-9-10-11-12-13-21(32)38-24-22-25-28(16-31,39-25)26(34)30(37)20(14-18(4)23(30)33)29(22,36)19(5)15-27(24,35)17(2)3/h10-14,19-20,22,24-26,31,34-37H,2,6-9,15-16H2,1,3-5H3/b11-10+,13-12+/t19-,20+,22-,24-,25+,26-,27-,28+,29+,30-/m1/s1

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InChIKey

GTNHSMYOEDNTOZ-OIQONVGESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GTNHSMYOEDNTOZ-OIQONVGESA-N

1 reference

(Q110186179)

[(1S,2S,4R,5S,6S,10S,11R,12R,14R,15R)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-prop-1-en-2-yl-3-oxatetracyclo[9.4.0.02,4.06,10]pentadec-8-en-15-yl] (2E,4E)-deca-2,4-dienoate

Statements

Identifiers

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