(Q105379237)

English

(1S,3aE,6E,9S,10aR)-1,9-dihydroxy-7-methyl-10-[(2R)-6-methylhept-5-en-2-yl]-1,5,8,9,10,10a-hexahydrocyclonona[c]furan-3-one

group of stereoisomers with the chemical formula C₂₀H₃₀O₄

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Statements

group of stereoisomers

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xenicane diterpenoid

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xenicane diterpenoid

334.21440944 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₀H₃₀O₄

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canonical SMILES

O=C1OC(O)C2C1=CCC=C(C)CC(O)C2C(C)CCC=C(C)C

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isomeric SMILES

CC(C)=CCC[C@@H](C)C1[C@@H](O)C/C(C)=C/C/C=C2/C(=O)O[C@H](O)[C@@H]21

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1 reference

Novel diterpenes with cytotoxic, anti-malarial and anti-tuberculosis activities from a brown alga Dictyota sp.

Identifiers

InChI=1S/C20H30O4/c1-12(2)7-5-9-14(4)17-16(21)11-13(3)8-6-10-15-18(17)20(23)24-19(15)22/h7-8,10,14,16-18,20-21,23H,5-6,9,11H2,1-4H3/b13-8+,15-10+/t14-,16+,17?,18+,20+/m1/s1

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ZLVXQIPQKMUARK-LOTWKUAISA-N

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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