(Q105276826)

English

[1-Acetyloxy-3-butanoyloxy-5,10-dihydroxy-7,8-dimethyl-7-(3-methylpenta-2,4-dienyl)-1,3,5,6,6a,8,9,10-octahydrobenzo[d][2]benzofuran-9-yl] butanoate

group of stereoisomers with the chemical formula C₃₀H₄₄O₉

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Statements

group of stereoisomers

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clerodane diterpenoid

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clerodane diterpenoid

548.2985329879998 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₄O₉

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canonical SMILES

O=C(OC1OC(OC(=O)CCC)C2=CC(O)CC3C21C(O)C(OC(=O)CCC)C(C)C3(C)CC=C(C=C)C)C

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Identifiers

InChI=1S/C30H44O9/c1-8-11-23(33)37-25-18(5)29(7,14-13-17(4)10-3)22-16-20(32)15-21-27(38-24(34)12-9-2)39-28(36-19(6)31)30(21,22)26(25)35/h10,13,15,18,20,22,25-28,32,35H,3,8-9,11-12,14,16H2,1-2,4-7H3

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UPJCAOKQHBUOLB-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

UPJCAOKQHBUOLB-UHFFFAOYSA-N

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