(Q115972461)

English

[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

germacrane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

366.20423868 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2S,3R)-2,3-dimethyloxirane-2-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₃₀O₆

0 references

canonical SMILES

O=C(OC1CC(C(=O)C=C(C)CCC(=O)C1(O)C)C(C)C)C2(OC2C)C

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isomeric SMILES

C/C1=C\C(=O)[C@@H](C(C)C)C[C@@H](OC(=O)[C@]2(C)O[C@@H]2C)[C@](C)(O)C(=O)CC1

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found in taxon

Blumea balsamifera

1 reference

stated in

Sesquiterpenoids and plasmin-inhibitory flavonoids from Blumea balsamifera.

Identifiers

InChI

InChI=1S/C20H30O6/c1-11(2)14-10-17(25-18(23)20(6)13(4)26-20)19(5,24)16(22)8-7-12(3)9-15(14)21/h9,11,13-14,17,24H,7-8,10H2,1-6H3/b12-9+/t13-,14-,17-,19-,20-/m1/s1

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InChIKey

XTTHQGPLWSYZEC-YSLIMBMKSA-N

0 references

2 references

3 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

XTTHQGPLWSYZEC-YSLIMBMKSA-N

1 reference

(Q115972461)

[(1R,3R,5E,10S)-10-hydroxy-6,10-dimethyl-4,9-dioxo-3-propan-2-ylcyclodec-5-en-1-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate

Statements

Identifiers

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