(Q105277373)

English

[(1S,4S,5S,6R,9R,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

(5,6-Dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl) 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

20-Deoxyingenol 3-angelate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₄O₅

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canonical SMILES

O=C(OC1C(=CC23C(=O)C(C=C(C)C(O)C12O)C4C(CC3C)C4(C)C)C)C(=CC)C

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isomeric SMILES

C/C=C(/C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@H](C=C(C)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C

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found in taxon

Euphorbia peplus

1 reference

stated in

Biologically active diterpene esters from euphorbia peplus

Identifiers

InChI

InChI=1S/C25H34O5/c1-8-12(2)22(28)30-21-14(4)11-24-15(5)10-17-18(23(17,6)7)16(20(24)27)9-13(3)19(26)25(21,24)29/h8-9,11,15-19,21,26,29H,10H2,1-7H3/b12-8-/t15-,16-,17-,18+,19-,21+,24+,25+/m1/s1

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InChIKey

UQOWJJGOQJONCI-IOJPPDBGSA-N

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CAS Registry Number

75567-38-3

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UQOWJJGOQJONCI-IOJPPDBGSA-N

DSSTox substance ID

DTXSID001311410

1 reference

matched by identifier from

InChIKey

UQOWJJGOQJONCI-IOJPPDBGSA-N

(Q105277373)

[(1S,4S,5S,6R,9R,10R,12R,14R)-5,6-dihydroxy-3,7,11,11,14-pentamethyl-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate

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Identifiers

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