(Q104936347)

English

[(1S,2R,5S,6R,9S,10R,13R)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-9-yl] 2-methyl-3-oxocyclopentene-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

chemical compound

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mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

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canonical SMILES

O=C(OC12OCC3(C)C4(O)CCC(C)C4(CC(=O)C13C)C2O)C5=C(C(=O)CC5)C

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isomeric SMILES

CC1=C(C(=O)O[C@@]23OC[C@]4(C)[C@@]5(O)CC[C@@H](C)[C@@]5(CC(=O)[C@]24C)[C@H]3O)CCC1=O

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found in taxon

Illicium majus

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stated in

Diterpenoids and sesquiterpenoids from the roots of Illicium majus

Identifiers

InChI

InChI=1S/C22H28O7/c1-11-7-8-21(27)18(3)10-28-22(29-16(25)13-5-6-14(23)12(13)2)17(26)20(11,21)9-15(24)19(18,22)4/h11,17,26-27H,5-10H2,1-4H3/t11-,17-,18+,19+,20+,21+,22-/m1/s1

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InChIKey

BIBFBLSEWSBVEL-DWRALUFWSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

BIBFBLSEWSBVEL-DWRALUFWSA-N

1 reference

(Q104936347)

[(1S,2R,5S,6R,9S,10R,13R)-5,13-dihydroxy-2,6,10-trimethyl-11-oxo-8-oxatetracyclo[7.3.1.01,5.06,10]tridecan-9-yl] 2-methyl-3-oxocyclopentene-1-carboxylate

Statements

Identifiers

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