(Q105297385)

English

[(1S,2S,3aR,5E,12E,13aS)-3a-acetyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,7,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

3a-(acetyloxy)-2,5,8,8,12-pentamethyl-4,9-dioxo-1H,2H,3H,7H,10H,11H,13aH-cyclopenta[12]annulen-1-yl propanoate

1 reference

based on heuristic

inferred from SMILES

mass

432.251188872 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₆O₆

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canonical SMILES

O=C(OC12C(=O)C(=CCC(C(=O)CCC(=CC2C(OC(=O)CC)C(C)C1)C)(C)C)C)C

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isomeric SMILES

CCC(=O)O[C@H]1[C@@H](C)C[C@]2(OC(C)=O)C(=O)/C(C)=C/CC(C)(C)C(=O)CC/C(C)=C/[C@@H]12

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found in taxon

Euphorbia characias

1 reference

stated in

Derivatives of characiol, macrocyclic diterpene esters of the jatrophane type from Euphorbia characias

Identifiers

InChI

InChI=1S/C25H36O6/c1-8-21(28)30-22-17(4)14-25(31-18(5)26)19(22)13-15(2)9-10-20(27)24(6,7)12-11-16(3)23(25)29/h11,13,17,19,22H,8-10,12,14H2,1-7H3/b15-13+,16-11+/t17-,19-,22-,25+/m0/s1

0 references

InChIKey

VUROMCHRNZYUIJ-LTVJXCNCSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105297385)

[(1S,2S,3aR,5E,12E,13aS)-3a-acetyloxy-2,5,8,8,12-pentamethyl-4,9-dioxo-2,3,7,10,11,13a-hexahydro-1H-cyclopenta[12]annulen-1-yl] propanoate

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Identifiers

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