(Q105266182)

English

5-(2-Hydroxy-1-methylsulfinylpropan-2-yl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione

group of stereoisomers with the chemical formula C₂₀H₂₆O₇S

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instance of

group of stereoisomers

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subclass of

nagilactone diterpenoid

1 reference

inferred from

nagilactone diterpenoid

mass

410.139924172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₇S

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canonical SMILES

O=C1OC(C(O)(C)C[S+]([O-])C)C23OC3C4OC(=O)C5(C)CCCC(C2=C1)(C)C45

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Identifiers

InChI

InChI=1S/C20H26O7S/c1-17-6-5-7-18(2)13(17)12(26-16(18)22)14-20(27-14)10(17)8-11(21)25-15(20)19(3,23)9-28(4)24/h8,12-15,23H,5-7,9H2,1-4H3

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InChIKey

TWXBQVFNQZTTKH-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TWXBQVFNQZTTKH-UHFFFAOYSA-N

1 reference

(Q105266182)

5-(2-Hydroxy-1-methylsulfinylpropan-2-yl)-10,14-dimethyl-3,6,16-trioxapentacyclo[8.6.1.02,4.04,9.014,17]heptadec-8-ene-7,15-dione

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Identifiers

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