(Q105114790)

English

[(3aS,4R,5R,7S)-3a,4-dihydroxy-1,4-dimethyl-8-oxo-7-propan-2-yl-3,5,6,7-tetrahydro-2H-azulen-5-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

guaiane sesquiterpenoid

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mass

366.20423868 dalton

1 reference

1 reference

1 reference

C₂₀H₃₀O₆

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canonical SMILES

O=C(OC1CC(C(=O)C2=C(C)CCC2(O)C1(O)C)C(C)C)C3(OC3C)C

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isomeric SMILES

CC1=C2C(=O)[C@H](C(C)C)C[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@](C)(O)[C@]2(O)CC1

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found in taxon

Blumea balsamifera

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stated in

Sesquiterpenes from Blumea balsamifera

Identifiers

InChI

InChI=1S/C20H30O6/c1-10(2)13-9-14(25-17(22)18(5)12(4)26-18)19(6,23)20(24)8-7-11(3)15(20)16(13)21/h10,12-14,23-24H,7-9H2,1-6H3/t12-,13+,14-,18+,19-,20+/m1/s1

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InChIKey

IKMKRVIHSCZYGK-LALHSKTOSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IKMKRVIHSCZYGK-LALHSKTOSA-N

(Q105114790)

[(3aS,4R,5R,7S)-3a,4-dihydroxy-1,4-dimethyl-8-oxo-7-propan-2-yl-3,5,6,7-tetrahydro-2H-azulen-5-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

Statements

Identifiers

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