(Q104978799)

English

[(1R,3E,5R,7S,9R,10E,12S,13S,14R)-1-acetyloxy-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-9-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (E)-3-[(2S,3R)-3-propyloxiran-2-yl]prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(1-Acetyloxy-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-9-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl) 3-(3-propyloxiran-2-yl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

514.293053684 dalton

1 reference

1 reference

C₃₀H₄₂O₇

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canonical SMILES

O=C(OC1C(=CC2C(O)C(C)CC2(OC(=O)C)C(=O)C(=CC3C(C1)C3(C)C)C)C)C=CC4OC4CCC

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isomeric SMILES

CCC[C@H]1O[C@H]1/C=C/C(=O)O[C@@H]1C[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@@H](C)[C@H](O)[C@@H]3/C=C/1C)C2(C)C

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found in taxon

Euphorbia helioscopia

1 reference

stated in

Diterpenes from Euphorbia helioscopia

Identifiers

InChI

InChI=1S/C30H42O7/c1-8-9-23-24(35-23)10-11-26(32)36-25-14-21-20(29(21,6)7)13-17(3)28(34)30(37-19(5)31)15-18(4)27(33)22(30)12-16(25)2/h10-13,18,20-25,27,33H,8-9,14-15H2,1-7H3/b11-10+,16-12+,17-13+/t18-,20-,21+,22+,23-,24+,25-,27+,30-/m1/s1

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InChIKey

DGJWKAHZGKAFHX-NXMNHODVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DGJWKAHZGKAFHX-NXMNHODVSA-N

(Q104978799)

[(1R,3E,5R,7S,9R,10E,12S,13S,14R)-1-acetyloxy-13-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-9-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] (E)-3-[(2S,3R)-3-propyloxiran-2-yl]prop-2-enoate

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Identifiers

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