(Q105362753)

English

[(2S)-2-[(1S,2S,3E,7E,10S)-2-hydroxy-4,8-dimethyl-10-[(Z)-2-methylbut-2-enoyl]oxycyclodeca-3,7-dien-1-yl]propyl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-Hydroxy-4,8-dimethyl-10-(2-methylbut-2-enoyloxy)cyclodeca-3,7-dien-1-yl]propyl 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

418.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₈O₅

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canonical SMILES

O=C(OCC(C)C1C(O)C=C(C)CCC=C(C)CC1OC(=O)C(=CC)C)C(=CC)C

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isomeric SMILES

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

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found in taxon

Thapsia villosa

1 reference

stated in

12-Hydroxytovarol and derivatives from Thapsia villosa var. minor

Identifiers

InChI

InChI=1S/C25H38O5/c1-8-18(5)24(27)29-15-20(7)23-21(26)13-16(3)11-10-12-17(4)14-22(23)30-25(28)19(6)9-2/h8-9,12-13,20-23,26H,10-11,14-15H2,1-7H3/b16-13+,17-12+,18-8-,19-9-/t20-,21+,22+,23+/m1/s1

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InChIKey

YUEOTHPHUBXRFE-HDACCSAGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YUEOTHPHUBXRFE-HDACCSAGSA-N

(Q105362753)

[(2S)-2-[(1S,2S,3E,7E,10S)-2-hydroxy-4,8-dimethyl-10-[(Z)-2-methylbut-2-enoyl]oxycyclodeca-3,7-dien-1-yl]propyl] (Z)-2-methylbut-2-enoate

Statements

Identifiers

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