(Q104968889)

English

[(1S)-2-[(1R,2S,4S,9R,12S,13R)-4,13-dihydroxy-11-methylidene-7-oxo-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadec-5-en-12-yl]-1-(furan-3-yl)ethyl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

416.147117728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₄O₈

0 references

canonical SMILES

O=C1OC2CC(=C)C3(CC(OC(=O)C)C4=COC=C4)C(O)OCC52C1=CC(O)CC53

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isomeric SMILES

C=C1C[C@H]2OC(=O)C3=C[C@@H](O)C[C@@H]4[C@]1(C[C@H](OC(C)=O)c1ccoc1)[C@H](O)OC[C@]342

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found in taxon

Croton sublyratus

1 reference

stated in

Novel diterpenelactones with anti-peptic ulcer activity from Croton sublyratus

Identifiers

InChI

InChI=1S/C22H24O8/c1-11-5-18-22-10-28-20(26)21(11,8-16(29-12(2)23)13-3-4-27-9-13)17(22)7-14(24)6-15(22)19(25)30-18/h3-4,6,9,14,16-18,20,24,26H,1,5,7-8,10H2,2H3/t14-,16+,17-,18-,20-,21-,22+/m1/s1

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InChIKey

CRUGKFQBOCUEHC-IYROKSPBSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

CRUGKFQBOCUEHC-IYROKSPBSA-N

1 reference

(Q104968889)

[(1S)-2-[(1R,2S,4S,9R,12S,13R)-4,13-dihydroxy-11-methylidene-7-oxo-8,14-dioxatetracyclo[7.6.0.01,6.02,12]pentadec-5-en-12-yl]-1-(furan-3-yl)ethyl] acetate

Statements

Identifiers

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