(Q105016561)

English

(3S,4S,7R,10E,11aR)-4,7-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one

group of stereoisomers with the chemical formula C₁₅H₂₂O₄

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Statements

instance of

group of stereoisomers

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subclass of

germacrane sesquiterpenoid

1 reference

inferred from

germacrane sesquiterpenoid

mass

266.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2C=C(C)CCC(O)C(=C)CC(O)C2C1C

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isomeric SMILES

C=C1C[C@H](O)C2[C@H](C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O

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Identifiers

InChI

InChI=1S/C15H22O4/c1-8-4-5-11(16)9(2)7-12(17)14-10(3)15(18)19-13(14)6-8/h6,10-14,16-17H,2,4-5,7H2,1,3H3/b8-6+/t10-,11+,12-,13+,14?/m0/s1

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InChIKey

GRUOWKYRKACQKC-KREIXESESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GRUOWKYRKACQKC-KREIXESESA-N

(Q105016561)

(3S,4S,7R,10E,11aR)-4,7-dihydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one

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Identifiers

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