(Q104400377)

English

[(2R,3S,3aE,5S,8R,9Z,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

(2,5,11-Trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl) acetate

1 reference

1 reference

358.21440944 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,3aE,5R,8R,9Z,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3S,3aE,5S,8R,9E,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₄

0 references

canonical SMILES

O=C(OC1C2=CC(C(=O)CC(C=CC(C(=O)C2CC1C)C)C(=C)C)C)C

0 references

isomeric SMILES

C=C(C)[C@H]1/C=C\[C@@H](C)C(=O)[C@H]2C[C@@H](C)[C@H](OC(C)=O)/C2=C/[C@H](C)C(=O)C1

0 references

found in taxon

Jatropha multifida

1 reference

stated in

New macrocyclic diterpenoids from Jatropha multifida

Jatropha gossypiifolia

1 reference

stated in

Jatrophenone, a novel macrocyclic bioactive diterpene from Jatropha gossypifolia

Identifiers

InChI

InChI=1S/C22H30O4/c1-12(2)17-8-7-13(3)21(25)18-10-15(5)22(26-16(6)23)19(18)9-14(4)20(24)11-17/h7-9,13-15,17-18,22H,1,10-11H2,2-6H3/b8-7-,19-9+/t13-,14+,15-,17+,18+,22+/m1/s1

0 references

InChIKey

XSEUJTRCOWEKGS-KJIVZFOASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XSEUJTRCOWEKGS-KJIVZFOASA-N

1 reference

(Q104400377)

[(2R,3S,3aE,5S,8R,9Z,11R,12aS)-2,5,11-trimethyl-6,12-dioxo-8-prop-1-en-2-yl-1,2,3,5,7,8,11,12a-octahydrocyclopenta[11]annulen-3-yl] acetate

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